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Phenylpropanoic acids

Organic compounds consisting of a carboxylic acid with the formula: C9H10O2; also known as hydrocinnamic acid. They are widely used in cosmetics, as food additives, and in the pharmaceutical industry.

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3

3-(4-Bromophenyl)propionic acid, 97%, Thermo Scientific Chemicals

CAS: 1643-30-7 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br

PubChem CID 2735609
CAS 1643-30-7
MDL Number MFCD01310793
SMILES C1=CC(=CC=C1CCC(=O)O)Br
Synonym 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm
IUPAC Name 3-(4-bromophenyl)propanoic acid
InChI Key NCSTWHYWOVZDOC-UHFFFAOYSA-N
4

alpha-Methylhydrocinnamic acid, 98%

CAS: 1009-67-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00192301 InChI Key: MCIIDRLDHRQKPH-UHFFFAOYNA-N Synonym: 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,# PubChem CID: 99862 IUPAC Name: 2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)C(O)=O

PubChem CID 99862
CAS 1009-67-2
Molecular Weight (g/mol) 164.20
MDL Number MFCD00192301
SMILES CC(CC1=CC=CC=C1)C(O)=O
Synonym 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,#
IUPAC Name 2-methyl-3-phenylpropanoic acid
InChI Key MCIIDRLDHRQKPH-UHFFFAOYNA-N
Molecular Formula C10H12O2
6

4-(Trifluoromethyl)hydrocinnamic acid, 95%

CAS: 53473-36-2 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.17 MDL Number: MFCD00674032 InChI Key: OEIUMLSCWINLBB-UHFFFAOYSA-N Synonym: 4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid PubChem CID: 3588736 IUPAC Name: 3-[4-(trifluoromethyl)phenyl]propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)C(F)(F)F

PubChem CID 3588736
CAS 53473-36-2
Molecular Weight (g/mol) 218.17
MDL Number MFCD00674032
SMILES C1=CC(=CC=C1CCC(=O)O)C(F)(F)F
Synonym 4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid
IUPAC Name 3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI Key OEIUMLSCWINLBB-UHFFFAOYSA-N
Molecular Formula C10H9F3O2
7

DL-Phenylsuccinic acid, 98+%

CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

PubChem CID 95459
CAS 635-51-8
Molecular Weight (g/mol) 194.19
MDL Number MFCD00004256
SMILES C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
Synonym phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl
IUPAC Name 2-phenylbutanedioic acid
InChI Key LVFFZQQWIZURIO-UHFFFAOYSA-N
Molecular Formula C10H10O4
8

(S)-alpha-Methylphenylalanine hydrate, 98%, 98% ee, Thermo Scientific™

CAS: 23239-35-2 Molecular Formula: C10H13NO2·xH2O Molecular Weight (g/mol): 179.22 InChI Key: HYOWVAAEQCNGLE-JTQLQIEISA-N Synonym: alpha-methyl-l-phenylalanine,s-2-amino-2-methyl-3-phenylpropanoic acid,alpha-methyl-l-phe,alpha-methylphenylalanine,2s-2-amino-2-methyl-3-phenylpropanoic acid,l-alpha-methylphenylalanine,alpha-benzyl-l-ala,s-2-amino-2-methyl-3-phenylpropionic acid,s-2-amimo-2-methyl-3-phenylpropanoic acid,s-alpha-methylphenylalanine PubChem CID: 2724754 IUPAC Name: (2S)-2-amino-2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)(C(=O)O)N

PubChem CID 2724754
CAS 23239-35-2
Molecular Weight (g/mol) 179.22
SMILES CC(CC1=CC=CC=C1)(C(=O)O)N
Synonym alpha-methyl-l-phenylalanine,s-2-amino-2-methyl-3-phenylpropanoic acid,alpha-methyl-l-phe,alpha-methylphenylalanine,2s-2-amino-2-methyl-3-phenylpropanoic acid,l-alpha-methylphenylalanine,alpha-benzyl-l-ala,s-2-amino-2-methyl-3-phenylpropionic acid,s-2-amimo-2-methyl-3-phenylpropanoic acid,s-alpha-methylphenylalanine
IUPAC Name (2S)-2-amino-2-methyl-3-phenylpropanoic acid
InChI Key HYOWVAAEQCNGLE-JTQLQIEISA-N
Molecular Formula C10H13NO2·xH2O
9

3-(3-Methoxyphenyl)propionic acid, 99%, Thermo Scientific™

CAS: 10516-71-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00014027 InChI Key: BJJQJLOZWBZEGA-UHFFFAOYSA-N Synonym: 3-3-methoxyphenyl propionic acid,3-3-methoxyphenyl propanoic acid,3-m-methoxyphenyl propionic acid,3-methoxybenzenepropanoic acid,benzenepropanoic acid, 3-methoxy,3-3-methoxy-phenyl-propionic acid,3-methoxy-benzenepropanoic acid,3-3-methoxyphenyl propanoate,m-methoxyhydrocinnamate,3-methoxydihydrocinnamate PubChem CID: 66336 IUPAC Name: 3-(3-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC(CCC(O)=O)=C1

PubChem CID 66336
CAS 10516-71-9
Molecular Weight (g/mol) 180.20
MDL Number MFCD00014027
SMILES COC1=CC=CC(CCC(O)=O)=C1
Synonym 3-3-methoxyphenyl propionic acid,3-3-methoxyphenyl propanoic acid,3-m-methoxyphenyl propionic acid,3-methoxybenzenepropanoic acid,benzenepropanoic acid, 3-methoxy,3-3-methoxy-phenyl-propionic acid,3-methoxy-benzenepropanoic acid,3-3-methoxyphenyl propanoate,m-methoxyhydrocinnamate,3-methoxydihydrocinnamate
IUPAC Name 3-(3-methoxyphenyl)propanoic acid
InChI Key BJJQJLOZWBZEGA-UHFFFAOYSA-N
Molecular Formula C10H12O3
10

α-Methyl-DL-phenylalanine, 98%, Thermo Scientific™

CAS: 1132-26-9 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD00010512 InChI Key: IRZQDMYEJPNDEN-UHFFFAOYNA-N Synonym: alpha-methyl-dl-phenylalanine,2-amino-2-methyl-3-phenylpropionic acid,alpha-methylphenylalanine,h-dl-me phe-oh,h-alpha-me-dl-phe-oh,+/--2-amino-2-methyl-3-phenylpropionic acid,phenylalanine, alpha-methyl,2-amino-2-methyl-3-phenyl-propanoic acid,h-me-dl-phe-oh,2-methylphenylalanine # PubChem CID: 108055 IUPAC Name: 2-amino-2-methyl-3-phenylpropanoic acid SMILES: CC(C(N)C(O)=O)C1=CC=CC=C1

PubChem CID 108055
CAS 1132-26-9
Molecular Weight (g/mol) 179.22
MDL Number MFCD00010512
SMILES CC(C(N)C(O)=O)C1=CC=CC=C1
Synonym alpha-methyl-dl-phenylalanine,2-amino-2-methyl-3-phenylpropionic acid,alpha-methylphenylalanine,h-dl-me phe-oh,h-alpha-me-dl-phe-oh,+/--2-amino-2-methyl-3-phenylpropionic acid,phenylalanine, alpha-methyl,2-amino-2-methyl-3-phenyl-propanoic acid,h-me-dl-phe-oh,2-methylphenylalanine #
IUPAC Name 2-amino-2-methyl-3-phenylpropanoic acid
InChI Key IRZQDMYEJPNDEN-UHFFFAOYNA-N
Molecular Formula C10H13NO2
11

(R)-α-Methyltyrosine, 98%, 98% ee, Thermo Scientific™

CAS: 672-86-6 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.22 InChI Key: NHTGHBARYWONDQ-SNVBAGLBSA-N Synonym: r-alpha-methyltyrosine,alpha-methyl-d-tyr,r-2-amino-3-4-hydroxyphenyl-2-methylpropanoic acid,2r-2-amino-3-4-hydroxyphenyl-2-methylpropanoic acid,alpha-methyl-d-tyrosine,metirosinum inn-latin,metirosina inn-spanish,l-tyrosine, alpha-methyl-,-,d +-metyrosine,metyrosine usan PubChem CID: 12650 IUPAC Name: (2R)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid SMILES: CC(CC1=CC=C(C=C1)O)(C(=O)O)N

PubChem CID 12650
CAS 672-86-6
Molecular Weight (g/mol) 195.22
SMILES CC(CC1=CC=C(C=C1)O)(C(=O)O)N
Synonym r-alpha-methyltyrosine,alpha-methyl-d-tyr,r-2-amino-3-4-hydroxyphenyl-2-methylpropanoic acid,2r-2-amino-3-4-hydroxyphenyl-2-methylpropanoic acid,alpha-methyl-d-tyrosine,metirosinum inn-latin,metirosina inn-spanish,l-tyrosine, alpha-methyl-,-,d +-metyrosine,metyrosine usan
IUPAC Name (2R)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
InChI Key NHTGHBARYWONDQ-SNVBAGLBSA-N
Molecular Formula C10H13NO3
12

DL-3-Phenyllactic acid, 97%

CAS: 828-01-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00065928 InChI Key: VOXXWSYKYCBWHO-UHFFFAOYSA-N Synonym: dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid PubChem CID: 3848 ChEBI: CHEBI:25998 IUPAC Name: 2-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CC(C(=O)O)O

PubChem CID 3848
CAS 828-01-3
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:25998
MDL Number MFCD00065928
SMILES C1=CC=C(C=C1)CC(C(=O)O)O
Synonym dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid
IUPAC Name 2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-UHFFFAOYSA-N
Molecular Formula C9H10O3
13

3-(4-Nitrophenyl)propanoic acid, 98%

CAS: 16642-79-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00126834 InChI Key: VZOPVJNBOQOLPN-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid PubChem CID: 85526 IUPAC Name: 3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 85526
CAS 16642-79-8
Molecular Weight (g/mol) 195.17
MDL Number MFCD00126834
SMILES OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O
Synonym 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid
IUPAC Name 3-(4-nitrophenyl)propanoic acid
InChI Key VZOPVJNBOQOLPN-UHFFFAOYSA-N
Molecular Formula C9H9NO4
14

(R)-N-BOC-3-Amino-3-phenylpropanoic acid, 95%, 98% ee, Thermo Scientific™

CAS: 161024-80-2 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.31 MDL Number: MFCD01320859 InChI Key: JTNQFJPZRTURSI-LLVKDONJSA-N Synonym: r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid PubChem CID: 7009108 IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

PubChem CID 7009108
CAS 161024-80-2
Molecular Weight (g/mol) 265.31
MDL Number MFCD01320859
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym r-n-boc-3-amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,boc-r-3-amino-3-phenylpropionic acid,boc-beta-phe-oh,r-3-boc-amino-3-phenylpropionic acid,r-3-boc-amino-3-phenylpropanoic acid,boc-r-phenylalanine,3r-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,r-3-tert-butoxycarbonylamino-3-phenyl-propionic acid
IUPAC Name (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key JTNQFJPZRTURSI-LLVKDONJSA-N
Molecular Formula C14H19NO4
15

(R)-α-Methylphenylalanine hydrate, 98%, 98% ee, Thermo Scientific™

CAS: 17350-84-4 Molecular Formula: C10H13NO2·xH2O Molecular Weight (g/mol): 197.23 InChI Key: HYOWVAAEQCNGLE-SNVBAGLBSA-N Synonym: r-2-amino-2-methyl-3-phenylpropanoic acid,alpha-methyl-d-phenylalanine,alpha-methyl-d-phe,2r-2-amino-2-methyl-3-phenylpropanoic acid,a-benzyl-d-ala,d-alpha-methyl phenylalanine,h-alpha-me-d-phe-oh,r-2-amimo-2-methyl-3-phenylpropanoic acid,r-2-amino-2-methyl-3-phenylpropionic acid,alpha-benzyl-d-ala PubChem CID: 7023409 IUPAC Name: (2R)-2-amino-2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)(C(=O)O)N

PubChem CID 7023409
CAS 17350-84-4
Molecular Weight (g/mol) 197.23
SMILES CC(CC1=CC=CC=C1)(C(=O)O)N
Synonym r-2-amino-2-methyl-3-phenylpropanoic acid,alpha-methyl-d-phenylalanine,alpha-methyl-d-phe,2r-2-amino-2-methyl-3-phenylpropanoic acid,a-benzyl-d-ala,d-alpha-methyl phenylalanine,h-alpha-me-d-phe-oh,r-2-amimo-2-methyl-3-phenylpropanoic acid,r-2-amino-2-methyl-3-phenylpropionic acid,alpha-benzyl-d-ala
IUPAC Name (2R)-2-amino-2-methyl-3-phenylpropanoic acid
InChI Key HYOWVAAEQCNGLE-SNVBAGLBSA-N
Molecular Formula C10H13NO2·xH2O