(2S)-2-aminopropanamide

• ChemBase ID: 251890
• Molecular Formular: C3H8N2O
• Molecular Mass: 88.10842
• Monoisotopic Mass: 88.06366289
• SMILES: C(=O)([C@@H](N)C)N
• Canonical SMILES: NC(=O)[C@@H](N)C
• InChI: InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m0/s1
• InChIKey: HQMLIDZJXVVKCW-REOHCLBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-aminopropanamide
• IUPAC Traditional name: alaninamide,
• Synonyms: (2S)-2-aminopropanamide

Database IDs

• CAS Number: 119864-22-1
• MDL Number: MFCD03840583
• PubChem SID: 164307800
• PubChem CID: 444939

CALCULATED PROPERTIES

• Acid pKa: 16.469738
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.044142
• LogD (pH = 7.4): -2.4191263
• Log P: -1.385654
• Molar Refractivity: 22.3195 cm^3
• Polarizability: 9.0116005 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67 - 69°C
• Hydrophobicity(logP): -1.562

Product Information

• Purity: 95%