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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12N2O4.ClH
Molecular Weight 260.674
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Nitro-L-phenylalanine methyl ester hydrochloride

SMILES

Cl.COC(=O)[C@@H](N)CC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=BTHMRXRBXYHLRA-FVGYRXGTSA-N
InChI=1S/C10H12N2O4.ClH/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15;/h2-5,9H,6,11H2,1H3;1H/t9-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Nitro-L-phenylalanine methyl ester hydrochloride
Systematic Name English
(S)-1-Methoxycarbonyl-2-(4-nitrophenyl)ethanaminium chloride
Preferred Name English
(S)-2-Amino-3-(4-nitrophenyl)propionic acid methyl ester hydrochloride
Systematic Name English
Methyl (S)-2-amino-3-(4-nitrophenyl)propanoate hydrochloride
Systematic Name English
L-Phenylalanine, 4-nitro-, methyl ester, hydrochloride (1:1)
Systematic Name English
Methyl 4-nitro-L-phenylalaninate hydrochloride
Systematic Name English
L-Phenylalanine, 4-nitro-, methyl ester, monohydrochloride
Systematic Name English
Alanine, 3-(p-nitrophenyl)-, methyl ester, monohydrochloride, L-
Systematic Name English
p-Nitrophenylalanine methyl ester hydrochloride
Systematic Name English
Code System Code Type Description
CAS
17193-40-7
Created by admin on Wed Apr 02 19:14:06 GMT 2025 , Edited by admin on Wed Apr 02 19:14:06 GMT 2025
PRIMARY
FDA UNII
2LTU82XN8C
Created by admin on Wed Apr 02 19:14:06 GMT 2025 , Edited by admin on Wed Apr 02 19:14:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID00471074
Created by admin on Wed Apr 02 19:14:06 GMT 2025 , Edited by admin on Wed Apr 02 19:14:06 GMT 2025
PRIMARY
PUBCHEM
11715866
Created by admin on Wed Apr 02 19:14:06 GMT 2025 , Edited by admin on Wed Apr 02 19:14:06 GMT 2025
PRIMARY