2-(2-aminoacetamido)propanoic acid

• ChemBase ID: 85065
• Molecular Formular: C5H10N2O3
• Molecular Mass: 146.1445
• Monoisotopic Mass: 146.06914219
• SMILES: N(C(C(=O)O)C)C(=O)CN
• Canonical SMILES: CC(C(=O)O)NC(=O)CN
• InChI: InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)
• InChIKey: VPZXBVLAVMBEQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoacetamido)propanoic acid
• IUPAC Traditional name: 2-(2-aminoacetamido)propanoic acid
• Synonyms: Glycyl-D-Alanine; GLY-D-ALA; GLY-DL-ALA; 2-(2-aminoacetamido)propanoic acid; 2-[(2-aminoacetyl)amino]propanoic acid

Database IDs

• CAS Number: 926-77-2; 691-81-6
• EC Number: 213-144-6
• MDL Number: MFCD00025587
• PubChem SID: 162072181
• PubChem CID: 98153

CALCULATED PROPERTIES

• Acid pKa: 3.6136515
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.9498086
• LogD (pH = 7.4): -4.012713
• Log P: -3.9486609
• Molar Refractivity: 33.3008 cm^3
• Polarizability: 13.317601 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02105570

Crystalline