2-aminopentanedioic acid amine

• ChemBase ID: 155297
• Molecular Formular: C5H12N2O4
• Molecular Mass: 164.15978
• Monoisotopic Mass: 164.07970687
• SMILES: C(CC(=O)O)C(C(=O)O)N.N
• Canonical SMILES: OC(=O)CCC(C(=O)O)N.N
• InChI: InChI=1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3
• InChIKey: PHKGGXPMPXXISP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopentanedioic acid amine
• IUPAC Traditional name: glutaminsaeure amine
• Synonyms: Glu; (S)-2-Aminopentanedioic acid ammonium salt; L-Glutamic acid ammonium salt; (S)-2-氨基戊二酸 铵盐; L-谷氨酸 铵盐

Database IDs

• CAS Number: 7558-63-6
• EC Number: 231-447-1
• MDL Number: MFCD00039098
• PubChem SID: 162249435; 24895060
• PubChem CID: 16219390

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

Safety Information

• RTECS: MA1400000
• German water hazard class: 3

Product Information

• Purity: ≥99% (TLC)
• Linear Formula: C5H8NO4 · NH4

DETAILS

Sigma Aldrich - G1376

Biochem/physiol Actions
Agonist at kainate, NMDA, and quisqualate glutamatergic receptors; an excitatory amino acid neurotransmitter.
L-Glutamic acid is a natural α proteinogenic amino acid use in a wide range of research application including use as a cell culture supplement, enzyme substrate or receptor ligand. L-Glutamine is an agonist at kainate, NMDA, and quisqualate glutamatergic receptors and an excitatory amino acid neurotransmitter.