4-Nitro-L-phenylalanine methyl ester hydrochloride

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

Structure Search

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C10H12N2O4
Molecular Weight	224.2133
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 19:14:06 GMT 2025` Edited by `admin` on `Wed Apr 02 19:14:06 GMT 2025`
Record UNII	2LTU82XN8C
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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