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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N2O3
Molecular Weight 250.2936
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-amino-4-butanamido-5-methylbenzoate

SMILES

CCCC(=O)NC1=C(C)C=C(C=C1N)C(=O)OC

InChI

InChIKey=UITANFWKOFOWHF-UHFFFAOYSA-N
InChI=1S/C13H18N2O3/c1-4-5-11(16)15-12-8(2)6-9(7-10(12)14)13(17)18-3/h6-7H,4-5,14H2,1-3H3,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 3-amino-4-butanamido-5-methylbenzoate
Systematic Name English
3-Amino-4-butyrylamino-5-methylbenzoic acid methyl ester
Preferred Name English
Code System Code Type Description
PUBCHEM
10083451
Created by admin on Wed Apr 02 17:10:34 GMT 2025 , Edited by admin on Wed Apr 02 17:10:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID70435380
Created by admin on Wed Apr 02 17:10:34 GMT 2025 , Edited by admin on Wed Apr 02 17:10:34 GMT 2025
PRIMARY
CAS
675882-71-0
Created by admin on Wed Apr 02 17:10:34 GMT 2025 , Edited by admin on Wed Apr 02 17:10:34 GMT 2025
PRIMARY
FDA UNII
LH655NTH5K
Created by admin on Wed Apr 02 17:10:34 GMT 2025 , Edited by admin on Wed Apr 02 17:10:34 GMT 2025
PRIMARY
NIH
NCATS
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