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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17NO3
Molecular Weight 235.279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isopropyl 3-(4-aminobenzoyl)propionate

SMILES

CC(C)OC(=O)CCC(=O)C1=CC=C(N)C=C1

InChI

InChIKey=NMZHMAPEDXIGEK-UHFFFAOYSA-N
InChI=1S/C13H17NO3/c1-9(2)17-13(16)8-7-12(15)10-3-5-11(14)6-4-10/h3-6,9H,7-8,14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H17NO3
Molecular Weight 235.279
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:10:35 GMT 2025
Edited
by admin
on Wed Apr 02 19:10:35 GMT 2025
Record UNII
J7Q5K8U2HQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Propan-2-yl 4-(4-aminophenyl)-4-oxobutanoate
Preferred Name English
Isopropyl 3-(4-aminobenzoyl)propionate
Systematic Name English
1-Methylethyl 4-amino-?-oxobenzenebutanoate
Systematic Name English
Benzenebutanoic acid, 4-amino-?-oxo-, 1-methylethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
J7Q5K8U2HQ
Created by admin on Wed Apr 02 19:10:35 GMT 2025 , Edited by admin on Wed Apr 02 19:10:35 GMT 2025
PRIMARY
CAS
753407-04-4
Created by admin on Wed Apr 02 19:10:35 GMT 2025 , Edited by admin on Wed Apr 02 19:10:35 GMT 2025
PRIMARY
PUBCHEM
3022643
Created by admin on Wed Apr 02 19:10:35 GMT 2025 , Edited by admin on Wed Apr 02 19:10:35 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT