4-[3-(benzyloxy)azetidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

• ChemBase ID: 549686
• Molecular Formular: C18H22N2O3
• Molecular Mass: 314.37888
• Monoisotopic Mass: 314.16304257
• SMILES: N1(C(=O)CC(C(=O)N2CC(C2)OCc2ccccc2)C1)C1CC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CC1)N1CC(C1)OCc1ccccc1
• InChI: InChI=1S/C18H22N2O3/c21-17-8-14(9-20(17)15-6-7-15)18(22)19-10-16(11-19)23-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2
• InChIKey: JAUYAZAGBYVBMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(benzyloxy)azetidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
• IUPAC Traditional name: 4-[3-(benzyloxy)azetidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
• Synonyms: 4-{[3-(benzyloxy)-1-azetidinyl]carbonyl}-1-cyclopropyl-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.69443244
• LogD (pH = 7.4): 0.69443256
• Log P: 0.69443256
• Molar Refractivity: 85.4246 cm^3
• Polarizability: 33.35782 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.88
• LOG S: -2.24
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5