2-hydroxybutanamide

• ChemBase ID: 247892
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: C(=O)(C(O)CC)N
• Canonical SMILES: CCC(C(=O)N)O
• InChI: InChI=1S/C4H9NO2/c1-2-3(6)4(5)7/h3,6H,2H2,1H3,(H2,5,7)
• InChIKey: UUXHICUVBOTXQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxybutanamide
• IUPAC Traditional name: 2-hydroxybutanamide
• Synonyms: 2-hydroxybutanamide

Database IDs

• MDL Number: MFCD16694120
• PubChem SID: 164303802
• PubChem CID: 10197643

CALCULATED PROPERTIES

• Acid pKa: 13.1999235
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7562497
• LogD (pH = 7.4): -0.75625044
• Log P: -0.7562497
• Molar Refractivity: 25.186 cm^3
• Polarizability: 9.982835 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.738

Product Information

• Purity: 95%