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

Details

Stereochemistry RACEMIC
Molecular Formula C11H12ClNO3
Molecular Weight 241.671
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Amino-3-(4-chlorophenyl)-5-oxopentanoic acid

SMILES

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

InChI

InChIKey=NLCJVRPOYTZTMS-UHFFFAOYSA-N
InChI=1S/C11H12ClNO3/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H2,13,14)(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
5-Amino-3-(4-chlorophenyl)-5-oxopentanoic acid
Systematic Name English
Benzenepropanoic acid, β-(2-amino-2-oxoethyl)-4-chloro-
Systematic Name English
β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid
Systematic Name English
3-(p-Chlorophenyl)glutaramic acid
Systematic Name English
Code System Code Type Description
FDA UNII
JG2V9C2V9N
Created by admin on Sat Dec 16 19:21:17 GMT 2023 , Edited by admin on Sat Dec 16 19:21:17 GMT 2023
PRIMARY
CAS
1141-23-7
Created by admin on Sat Dec 16 19:21:17 GMT 2023 , Edited by admin on Sat Dec 16 19:21:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID60405557
Created by admin on Sat Dec 16 19:21:17 GMT 2023 , Edited by admin on Sat Dec 16 19:21:17 GMT 2023
PRIMARY
PUBCHEM
4685477
Created by admin on Sat Dec 16 19:21:17 GMT 2023 , Edited by admin on Sat Dec 16 19:21:17 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966