3-Aminopentanedioic acid - ≥97% , CAS No.1948-48-7

CAS: 1948-48-7 Cat. No.: A191855 Molecular Weight: 147.13

GRADE & PURITY ≥97%

Synonyms

b-Glutamic acid | BBJIPMIXTXKYLZ-UHFFFAOYSA-N | BAA94848 | EN300-109490 | (2)-Glutamic acid | 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol | 3-AMINOPENTANEDIOICACID | AKOS006282078 | Q27103900 | W-204212 | Dimetoxanate hydrochloride | MFCD000

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

b-Glutamic acid | BBJIPMIXTXKYLZ-UHFFFAOYSA-N | BAA94848 | EN300-109490 | (2)-Glutamic acid | 7, 11b-dihydro-6H-indeno[2, 1-c]chromene-3, 4, 6a, 9, 10-pentol | 3-AMINOPENTANEDIOICACID | AKOS006282078 | Q27103900 | W-204212 | Dimetoxanate hydrochloride | MFCD000

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

β-Glutamic acid (β-Glu) is used as an osmolyte in many archaea. β-Glutamic acid may be used as a substrate to study the specificity and kinetics of archaeal and bacterial glutamine synthetase (GS) enzymes. β-Glutamic acid is used to study primitive mechan

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488184755
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184755
• Canonical Smiles: C(C(CC(=O)O)N)C(=O)O
• IUPAC Name: 3-aminopentanedioic acid
• InChIKey: BBJIPMIXTXKYLZ-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
• Isomeric SMILES: C(C(CC(=O)O)N)C(=O)O
• Molecular Weight: 147.13
• Reaxy-Rn: 1765430
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1765430&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Amino fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino fatty acid - Dicarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as amino fatty acids. These are fatty acids containing an amine group.
• External Descriptors: dicarboxylic acid

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: 147.130 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 147.053 Da
• Monoisotopic Mass: 147.053 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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