H-Gln-amc HBr - ≥95% , CAS No.105888-45-7

CAS: 105888-45-7 Cat. No.: H1273849 PubChem CID: 7020025

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCC(=O)N)N
• IUPAC Name: (2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)pentanediamide
• InChIKey: VEPDWBJBPXVCEN-NSHDSACASA-N
• INCHI: 1S/C15H17N3O4/c1-8-6-14(20)22-12-7-9(2-3-10(8)12)18-15(21)11(16)4-5-13(17)19/h2-3,6-7,11H,4-5,16H2,1H3,(H2,17,19)(H,18,21)/t11-/m0/s1
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCC(=O)N)N
• PubChem CID: 7020025

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: Alpha amino acid amides Coumarins and derivatives 1-benzopyrans N-arylamides Pyranones and derivatives Benzenoids Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Lactones Oxacyclic compounds Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Glutamine or derivatives - Alpha-amino acid amide - Coumarin - Benzopyran - 1-benzopyran - N-arylamide - Pyranone - Fatty amide - Pyran - Benzenoid - Fatty acyl - Heteroaromatic compound - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Lactone - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Organic oxide - Primary amine - Carbonyl group - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic 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: 303.310 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 303.122 Da
• Monoisotopic Mass: 303.122 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 503.000
• 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