2-carbamimidoyl-N-methylacetamide

• ChemBase ID: 309615
• Molecular Formular: C4H9N3O
• Molecular Mass: 115.13376
• Monoisotopic Mass: 115.07456192
• SMILES: C(C(=N)N)C(=O)NC
• Canonical SMILES: CNC(=O)CC(=N)N
• InChI: InChI=1S/C4H9N3O/c1-7-4(8)2-3(5)6/h2H2,1H3,(H3,5,6)(H,7,8)
• InChIKey: PZKZNGDDVRVCRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-carbamimidoyl-N-methylacetamide
• IUPAC Traditional name: 2-carbamimidoyl-N-methylacetamide
• Synonyms: 3-amino-3-imino-N-methylpropanamide

Database IDs

• MDL Number: MFCD19982721

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.066694
• LogD (pH = 7.4): -4.046523
• Log P: -1.6514982
• Molar Refractivity: 40.123 cm^3
• Polarizability: 11.2208605 Å^3
• Polar Surface Area: 78.97 Å^2