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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17NO2
Molecular Weight 207.2689
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-(benzylamino)-2-methylpropanoate, (R)-

SMILES

COC(=O)[C@H](C)CNCC1=CC=CC=C1

InChI

InChIKey=AMFQVMBTZNGVDU-SNVBAGLBSA-N
InChI=1S/C12H17NO2/c1-10(12(14)15-2)8-13-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H17NO2
Molecular Weight 207.2689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:31:25 GMT 2025
Edited
by admin
on Wed Apr 02 20:31:25 GMT 2025
Record UNII
WJP5US8CP4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 3-(benzylamino)-2-methylpropanoate, (R)-
Systematic Name English
Propanoic acid, 2-methyl-3-[(phenylmethyl)amino]-, methyl ester, (R)-
Preferred Name English
Code System Code Type Description
FDA UNII
WJP5US8CP4
Created by admin on Wed Apr 02 20:31:25 GMT 2025 , Edited by admin on Wed Apr 02 20:31:25 GMT 2025
PRIMARY
PUBCHEM
6933017
Created by admin on Wed Apr 02 20:31:25 GMT 2025 , Edited by admin on Wed Apr 02 20:31:25 GMT 2025
PRIMARY
CAS
180424-04-8
Created by admin on Wed Apr 02 20:31:25 GMT 2025 , Edited by admin on Wed Apr 02 20:31:25 GMT 2025
PRIMARY