Acetyl-L-glutamic acid alpha-amide - ≥95% , CAS No.25460-87-1

CAS: 25460-87-1 Cat. No.: A354425 Molecular Weight: 188.18

GRADE & PURITY ≥95%

Synonyms

EN300-25395564 | n-acetyl-l-isoglutamine | Acetyl-L-glutamic acid alpha-amide | N-alpha-Acetyl-L-isoglutamine | N~2~-Acetyl-L-alpha-glutamine | AC-GLU-NH2 | DTXSID30427185 | Pentanoic acid,4-(acetylamino)-5-amino-5-oxo-,(4S)- | MFCD00237480 | AKOS00627497

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EN300-25395564 | n-acetyl-l-isoglutamine | Acetyl-L-glutamic acid alpha-amide | N-alpha-Acetyl-L-isoglutamine | N~2~-Acetyl-L-alpha-glutamine | AC-GLU-NH2 | DTXSID30427185 | Pentanoic acid, 4-(acetylamino)-5-amino-5-oxo-, (4S)- | MFCD00237480 | AKOS00627497

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504764626
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764626
• Canonical Smiles: CC(=O)NC(CCC(=O)O)C(=O)N
• IUPAC Name: (4S)-4-acetamido-5-amino-5-oxopentanoic acid
• InChIKey: ZAFUMUJQGCBVPX-YFKPBYRVSA-N
• INCHI: 1S/C7H12N2O4/c1-4(10)9-5(7(8)13)2-3-6(11)12/h5H,2-3H2,1H3,(H2,8,13)(H,9,10)(H,11,12)/t5-/m0/s1
• Isomeric SMILES: CC(=O)N[C@@H](CCC(=O)O)C(=O)N
• Molecular Weight: 188.18
• Reaxy-Rn: 54279092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54279092&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 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: N-acyl-alpha amino acids and derivatives Fatty amides Fatty acids and conjugates Acetamides Secondary carboxylic acid amides Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - Fatty amide - Fatty acid - Fatty acyl - Acetamide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic acyclic 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: 188.180 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 188.08 Da
• Monoisotopic Mass: 188.08 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 227.000
• 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