N-{[(Z)-N'-hydroxycarbamimidoyl]methyl}acetamide

• ChemBase ID: 309993
• Molecular Formular: C4H9N3O2
• Molecular Mass: 131.13316
• Monoisotopic Mass: 131.06947654
• SMILES: C(=N\O)(/CNC(=O)C)\N
• Canonical SMILES: CC(=O)NC/C(=N/O)/N
• InChI: InChI=1S/C4H9N3O2/c1-3(8)6-2-4(5)7-9/h9H,2H2,1H3,(H2,5,7)(H,6,8)
• InChIKey: SMJUVNGMYHLQES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[(Z)-N'-hydroxycarbamimidoyl]methyl}acetamide
• IUPAC Traditional name: N-{[(Z)-N'-hydroxycarbamimidoyl]methyl}acetamide
• Synonyms: N-[(2Z)-2-amino-2-(hydroxyimino)ethyl]acetamide

Database IDs

• MDL Number: MFCD12794131

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.1015246
• LogD (pH = 7.4): -2.0696163
• Log P: -2.0689251
• Molar Refractivity: 31.2132 cm^3
• Polarizability: 11.977857 Å^3
• Polar Surface Area: 87.71 Å^2