U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H11NO3
Molecular Weight 193.1992
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-4-oxo-4-phenylbutanoic acid, (±)-

SMILES

NC(CC(=O)C1=CC=CC=C1)C(O)=O

InChI

InChIKey=QXRCVKLRAOSZCP-UHFFFAOYSA-N
InChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C10H11NO3
Molecular Weight 193.1992
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:23:26 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:26 GMT 2025
Record UNII
Z9JEE8WSU9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FCE-27377
Preferred Name English
2-Amino-4-oxo-4-phenylbutanoic acid, (±)-
Systematic Name English
?-Amino-?-benzoylpropionic acid
Systematic Name English
?-Amino-?-oxobenzenebutanoic acid
Systematic Name English
Benzenebutanoic acid, ?-amino-?-oxo-
Systematic Name English
Alanine, 3-benzoyl-
Common Name English
2-Amino-4-oxo-4-phenylbutanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
Z9JEE8WSU9
Created by admin on Wed Apr 02 21:23:26 GMT 2025 , Edited by admin on Wed Apr 02 21:23:26 GMT 2025
PRIMARY
PUBCHEM
412786
Created by admin on Wed Apr 02 21:23:26 GMT 2025 , Edited by admin on Wed Apr 02 21:23:26 GMT 2025
PRIMARY
CAS
15121-92-3
Created by admin on Wed Apr 02 21:23:26 GMT 2025 , Edited by admin on Wed Apr 02 21:23:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID60328636
Created by admin on Wed Apr 02 21:23:26 GMT 2025 , Edited by admin on Wed Apr 02 21:23:26 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT