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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H13NO2
Molecular Weight 179.2157
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-Methyl 3-amino-3-phenylpropanoate

SMILES

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

InChI

InChIKey=XKIOBYHZFPTKCZ-VIFPVBQESA-N
InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H13NO2
Molecular Weight 179.2157
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 17:19:08 GMT 2025
Edited
by admin
on Wed Apr 02 17:19:08 GMT 2025
Record UNII
Y747B94QF9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenepropanoic acid, ?-amino-, methyl ester, (?S)-
Preferred Name English
(S)-Methyl 3-amino-3-phenylpropanoate
Systematic Name English
Methyl (?S)-?-aminobenzenepropanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
788099
Created by admin on Wed Apr 02 17:19:08 GMT 2025 , Edited by admin on Wed Apr 02 17:19:08 GMT 2025
PRIMARY
FDA UNII
Y747B94QF9
Created by admin on Wed Apr 02 17:19:08 GMT 2025 , Edited by admin on Wed Apr 02 17:19:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID20354971
Created by admin on Wed Apr 02 17:19:08 GMT 2025 , Edited by admin on Wed Apr 02 17:19:08 GMT 2025
PRIMARY
CAS
37088-66-7
Created by admin on Wed Apr 02 17:19:08 GMT 2025 , Edited by admin on Wed Apr 02 17:19:08 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT