N-hydroxy2-aminopentanimidic acid

• ChemBase ID: 238737
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=N\O)(/C(N)CCC)\O
• Canonical SMILES: CCCC(/C(=N/O)/O)N
• InChI: InChI=1S/C5H12N2O2/c1-2-3-4(6)5(8)7-9/h4,9H,2-3,6H2,1H3,(H,7,8)
• InChIKey: YWQDCRINEFTEGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy2-aminopentanimidic acid
• IUPAC Traditional name: N-hydroxy2-aminopentanimidic acid
• Synonyms: N-hydroxy2-aminopentanimidic acid

Database IDs

• MDL Number: MFCD00057761
• PubChem SID: 164294647
• PubChem CID: 5056756

CALCULATED PROPERTIES

• Acid pKa: 4.9156575
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.8951982
• LogD (pH = 7.4): -1.8167448
• Log P: -1.8159965
• Molar Refractivity: 33.7308 cm^3
• Polarizability: 13.605066 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.453

Product Information

• Purity: 95%