L-Glutamic acid γ-(p-nitroanilide) hydrochloride - ≥98% , CAS No.67953-08-6

CAS: 67953-08-6 Cat. No.: S135259 Molecular Weight: 303.7 EC Number: 267-944-5

GRADE & PURITY ≥98%

Synonyms

(2S)-2-amino-5-(4-nitroanilino)-5-oxopentanoic acid;hydrochloride | N5-(4-Nitrophenyl)-L-glutamine hydrochloride | L-Glutamic acid gamma-(p-nitroanilide), HCl | SCHEMBL10950909 | (S)-2-amino-3-(methylamino)propanoicacid | 7FHH4FVM3N | CAS-67953-08-6 | N-(

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(2S)-2-amino-5-(4-nitroanilino)-5-oxopentanoic acid;hydrochloride | N5-(4-Nitrophenyl)-L-glutamine hydrochloride | L-Glutamic acid gamma-(p-nitroanilide), HCl | SCHEMBL10950909 | (S)-2-amino-3-(methylamino)propanoicacid | 7FHH4FVM3N | CAS-67953-08-6 | N-(

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764955
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764955
• Canonical Smiles: C1=CC(=CC=C1NC(=O)CCC(C(=O)O)N)[N+](=O)[O-].Cl
• IUPAC Name: (2S)-2-amino-5-(4-nitroanilino)-5-oxopentanoic acid;hydrochloride
• InChIKey: OJEVFSFTVARWQX-FVGYRXGTSA-N
• INCHI: 1S/C11H13N3O5.ClH/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17);1H/t9-;/m0./s1
• Isomeric SMILES: C1=CC(=CC=C1NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-].Cl
• Molecular Weight: 303.7
• Reaxy-Rn: 31146014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31146014&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamine and derivatives
• Alternative Parents: L-alpha-amino acids Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides Fatty amides Secondary carboxylic acid amides Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Hydrochlorides Organic oxides Monoalkylamines Organic zwitterions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Glutamine or derivatives - Alpha-amino acid - L-alpha-amino acid - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Amino acid - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic salt - Hydrochloride - Amine - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 303.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 303.062 Da
• Monoisotopic Mass: 303.062 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 347.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yilie Liao, Qishan Chen, Lei Liu, Haipeng Huang, Jingyun Sun, Xiaojie Bai, Chenchen Jin, Honghao Li, Fangfang Sun, Xia Xiao, Yahong Zhang, Jia Li, Weiping Han, Suneng Fu.  (2024)  Amino acid is a major carbon source for hepatic lipogenesis.  Cell Metabolism,      [PMID:39461344] [10.1016/j.cmet.2024.10.001]