L-Glutamic acid alpha-(4-methoxy-beta-naphthylamide) - ≥98% , CAS No.74938-90-2

CAS: 74938-90-2 Cat. No.: L1014351 EC Number: 636-154-6 PubChem CID: 7015691

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=CC(=CC2=CC=CC=C21)NC(=O)C(CCC(=O)O)N
• IUPAC Name: (4S)-4-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid
• InChIKey: JKMBFBPDQHOZTG-ZDUSSCGKSA-N
• INCHI: 1S/C16H18N2O4/c1-22-14-9-11(8-10-4-2-3-5-12(10)14)18-16(21)13(17)6-7-15(19)20/h2-5,8-9,13H,6-7,17H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1
• Isomeric SMILES: COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)N
• Alternate CAS: 74938-90-2
• PubChem CID: 7015691

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 Glutamic acid 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: Glutamic acid and derivatives
• Alternative Parents: Alpha amino acid amides Naphthalenes Methoxyanilines Anisoles N-arylamides Alkyl aryl ethers Fatty amides Quaternary ammonium salts Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organic salts Organic zwitterions
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid amide - Naphthalene - Methoxyaniline - Anisole - Phenol ether - N-arylamide - Alkyl aryl ether - Fatty amide - Fatty acyl - Benzenoid - Quaternary ammonium salt - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Ether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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: 302.320 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 302.127 Da
• Monoisotopic Mass: 302.127 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 402.000
• 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: 1