2-hydroxy-N-(propan-2-yl)acetamide

• ChemBase ID: 273223
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)(NC(C)C)CO
• Canonical SMILES: OCC(=O)NC(C)C
• InChI: InChI=1S/C5H11NO2/c1-4(2)6-5(8)3-7/h4,7H,3H2,1-2H3,(H,6,8)
• InChIKey: IJVSBMIEGLIRIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-hydroxy-N-isopropylacetamide
• Synonyms: 2-hydroxy-N-(propan-2-yl)acetamide

Database IDs

• MDL Number: MFCD10048538
• PubChem SID: 164329133
• PubChem CID: 15881135

CALCULATED PROPERTIES

• Acid pKa: 13.634958
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.85047734
• LogD (pH = 7.4): -0.8504776
• Log P: -0.85047734
• Molar Refractivity: 30.2322 cm^3
• Polarizability: 11.806096 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.4

Product Information

• Purity: 95%