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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17FN2O3
Molecular Weight 268.2841
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine methyl ester

SMILES

CNC(=O)C1=CC=C(NC(C)(C)C(=O)OC)C=C1F

InChI

InChIKey=MLHUTKWFDCMHQO-UHFFFAOYSA-N
InChI=1S/C13H17FN2O3/c1-13(2,12(18)19-4)16-8-5-6-9(10(14)7-8)11(17)15-3/h5-7,16H,1-4H3,(H,15,17)

HIDE SMILES / InChI

Molecular Formula C13H17FN2O3
Molecular Weight 268.2841
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 18:53:08 GMT 2025
Edited
by admin
on Wed Apr 02 18:53:08 GMT 2025
Record UNII
2CQV7V48AN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl-, methyl ester
Preferred Name English
N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine methyl ester
Common Name English
Code System Code Type Description
PUBCHEM
56926022
Created by admin on Wed Apr 02 18:53:08 GMT 2025 , Edited by admin on Wed Apr 02 18:53:08 GMT 2025
PRIMARY
FDA UNII
2CQV7V48AN
Created by admin on Wed Apr 02 18:53:08 GMT 2025 , Edited by admin on Wed Apr 02 18:53:08 GMT 2025
PRIMARY
CAS
1332524-01-2
Created by admin on Wed Apr 02 18:53:08 GMT 2025 , Edited by admin on Wed Apr 02 18:53:08 GMT 2025
PRIMARY
Related Record Type Details
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