2-aminopentanedioic acid

• ChemBase ID: 127582
• Molecular Formular: C5H9NO4
• Molecular Mass: 147.12926
• Monoisotopic Mass: 147.05315777
• SMILES: C(CC(=O)O)C(C(=O)O)N
• Canonical SMILES: OC(=O)CCC(C(=O)O)N
• InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
• InChIKey: WHUUTDBJXJRKMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopentanedioic acid
• IUPAC Systematic name: 2-Aminopentanedioic acid
• IUPAC Traditional name: glutaminsaeure; α-aminoglutarate
• Synonyms: (±)-Glutamic Acid; DL-Glu; Glutaminic Acid; NSC 206301; NSC 9967; DL-Glutamic Acid; 2-Aminoglutaric acid; Glutamic acid

Database IDs

• CAS Number: 617-65-2
• MDL Number: MFCD00063113
• PubChem SID: 162221901
• PubChem CID: 611
• CHEBI ID: 18237
• CHEMBL: 276389
• Chemspider ID: 591
• KEGG ID: D04341
• Unique Ingredient Identifier: 61LJO5I15S
• Wikipedia Title: Glutamic_acid

CALCULATED PROPERTIES

• Acid pKa: 1.8777773
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -4.4458017
• LogD (pH = 7.4): -6.180975
• Log P: -3.241447
• Molar Refractivity: 31.2877 cm^3
• Polarizability: 12.69048 Å^3
• Polar Surface Area: 100.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.00035g/100g ethanol 25 degC; 8.64 g/l (25 °C) in water
• Apperance: white crystalline powder
• Melting Point: 199 °C decomp.
• Density: 1.4601 (20 °C)

Safety Information

• NFPA704:
  

  1

  1

  0

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - G596955

Glutamic Acid is non-essential amino acid. Its salt form (glutamate) is an important neurotransmitter that plays a key role in long-term potentiation and is important for learning and memory. Glutamic Acid is also a key molecule in cellular metabolism.

REFERENCES

• McEntee, W. et al.: Psychopharmacology, 111, 391 (1993)
• Manev, H. et al.: Mol. Pharmacol., 36, 106 (1993)