N-hydroxy-4-methylpentanamide

• ChemBase ID: 269977
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(NO)CCC(C)C
• Canonical SMILES: ONC(=O)CCC(C)C
• InChI: InChI=1S/C6H13NO2/c1-5(2)3-4-6(8)7-9/h5,9H,3-4H2,1-2H3,(H,7,8)
• InChIKey: ZZKVSDHNRIDOOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-4-methylpentanamide
• IUPAC Traditional name: N-hydroxy-4-methylpentanamide
• Synonyms: N-hydroxy-4-methylpentanamide

Database IDs

• MDL Number: MFCD11170503
• PubChem SID: 164325887
• PubChem CID: 28780578

CALCULATED PROPERTIES

• Acid pKa: 8.907434
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8430531
• LogD (pH = 7.4): 0.8299905
• Log P: 0.8432222
• Molar Refractivity: 34.608 cm^3
• Polarizability: 13.634642 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.392

Product Information

• Purity: 95%