(2R)-2-(2-aminoacetamido)propanoic acid

• ChemBase ID: 108723
• Molecular Formular: C5H10N2O3
• Molecular Mass: 146.1445
• Monoisotopic Mass: 146.06914219
• SMILES: C[C@@H](NC(=O)CN)C(=O)O
• Canonical SMILES: C[C@H](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)/t3-/m1/s1
• InChIKey: VPZXBVLAVMBEQI-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(2-aminoacetamido)propanoic acid
• IUPAC Traditional name: (2R)-2-(2-aminoacetamido)propanoic acid
• Synonyms: GLYCYL-D-ALANINE

Database IDs

• CAS Number: 691-81-6
• PubChem SID: 162095646
• PubChem CID: 11966077

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

DETAILS

MP Biomedicals - 05208496

MP Biomedicals Rare Chemical collection