1-[1-(methoxymethyl)cyclobutanecarbonyl]imidazolidin-4-one

• ChemBase ID: 607742
• Molecular Formular: C10H16N2O3
• Molecular Mass: 212.24564
• Monoisotopic Mass: 212.11609238
• SMILES: N1(C(=O)C2(COC)CCC2)CNC(=O)C1
• Canonical SMILES: COCC1(CCC1)C(=O)N1CNC(=O)C1
• InChI: InChI=1S/C10H16N2O3/c1-15-6-10(3-2-4-10)9(14)12-5-8(13)11-7-12/h2-7H2,1H3,(H,11,13)
• InChIKey: PCBRRMYXMQQTHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(methoxymethyl)cyclobutanecarbonyl]imidazolidin-4-one
• IUPAC Traditional name: 1-[1-(methoxymethyl)cyclobutanecarbonyl]imidazolidin-4-one
• Synonyms: 1-{[1-(methoxymethyl)cyclobutyl]carbonyl}imidazolidin-4-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.716685
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.60690916
• LogD (pH = 7.4): -0.60692745
• Log P: -0.6069089
• Molar Refractivity: 52.9304 cm^3
• Polarizability: 20.879553 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.04
• LOG S: -2.09
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3