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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

Molecular Formula C11H12ClNO3
Molecular Weight 241.671
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 Sat Dec 16 19:21:17 GMT 2023
Edited
by admin
on Sat Dec 16 19:21:17 GMT 2023
Record UNII
JG2V9C2V9N
Record Status Validated (UNII)
Record Version
  • Download
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