2-(2-aminopropanamido)acetic acid

• ChemBase ID: 80113
• Molecular Formular: C5H10N2O3
• Molecular Mass: 146.1445
• Monoisotopic Mass: 146.06914219
• SMILES: N(C(=O)C(N)C)CC(=O)O
• Canonical SMILES: CC(C(=O)NCC(=O)O)N
• InChI: InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
• InChIKey: CXISPYVYMQWFLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminopropanamido)acetic acid
• IUPAC Traditional name: (2-aminopropanamido)acetic acid
• Synonyms: 2-[(2-aminopropanoyl)amino]acetic acid; DL-ALANYL GLYCINE

Database IDs

• CAS Number: 1188-01-8
• MDL Number: MFCD00066043
• PubChem SID: 162067233
• PubChem CID: 79094

CALCULATED PROPERTIES

• Acid pKa: 3.6593788
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.9507923
• LogD (pH = 7.4): -3.9851785
• Log P: -3.9484138
• 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 - 05206414

MP Biomedicals Rare Chemical collection