(2R)-2-(2-aminoacetamido)butanedioic acid

• ChemBase ID: 102480
• Molecular Formular: C6H10N2O5
• Molecular Mass: 190.154
• Monoisotopic Mass: 190.05897143
• SMILES: NCC(=O)N[C@H](CC(=O)O)C(=O)O
• Canonical SMILES: NCC(=O)N[C@@H](C(=O)O)CC(=O)O
• InChI: InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m1/s1
• InChIKey: SCCPDJAQCXWPTF-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(2-aminoacetamido)butanedioic acid
• IUPAC Traditional name: (2R)-2-(2-aminoacetamido)butanedioic acid
• Synonyms: GLY-D-ASP; GLYCYL-D-ASPARTIC ACID

Database IDs

• CAS Number: 17343-03-2
• PubChem SID: 162088761
• PubChem CID: 7005114

CALCULATED PROPERTIES

• Acid pKa: 3.1682134
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -5.1491876
• LogD (pH = 7.4): -6.953223
• Log P: -4.6670218
• Molar Refractivity: 39.3362 cm^3
• Polarizability: 15.854732 Å^3
• Polar Surface Area: 129.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02101850

Crystalline