N-Acetyl-DL-glutamic acid - ≥98% , CAS No.5817-08-3

CAS: 5817-08-3 Cat. No.: A117199 Molecular Weight: 189.17 EC Number: 227-388-6

GRADE & PURITY ≥98%

Synonyms

AM20100420 | DTXSID00859595 | N-acetyl-dl-glutamic acid crystalline | ACEGLUMATE | BTB 13546 | MFCD00002802 | STK803143 | A831768 | MLS002207281 | FT-0659480 | MFCD00063195 | FT-0629833 | AB02539 | acetyl-glu | DL-Glutamic acid, N-acetyl- | AS-59424 | BBL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AM20100420 | DTXSID00859595 | N-acetyl-dl-glutamic acid crystalline | ACEGLUMATE | BTB 13546 | MFCD00002802 | STK803143 | A831768 | MLS002207281 | FT-0659480 | MFCD00063195 | FT-0629833 | AB02539 | acetyl-glu | DL-Glutamic acid, N-acetyl- | AS-59424 | BBL

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: 504750359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750359
• Canonical Smiles: CC(=O)NC(CCC(=O)O)C(=O)O
• IUPAC Name: 2-acetamidopentanedioic acid
• InChIKey: RFMMMVDNIPUKGG-UHFFFAOYSA-N
• INCHI: 1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
• Isomeric SMILES: CC(=O)NC(CCC(=O)O)C(=O)O
• WGK Germany: 3
• Molecular Weight: 189.17
• Reaxy-Rn: 1727472
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727472&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 Fatty acids and conjugates Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glutamic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Dicarboxylic acid or derivatives - Fatty acid - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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

Associated Targets(Human)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 189.170 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 189.064 Da
• Monoisotopic Mass: 189.064 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 225.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1