1-{2,7-diazaspiro[4.5]decan-2-yl}-2-methoxyethan-1-one

• ChemBase ID: 529603
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: N1(C(=O)COC)CC2(CC1)CNCCC2
• Canonical SMILES: COCC(=O)N1CCC2(C1)CCCNC2
• InChI: InChI=1S/C11H20N2O2/c1-15-7-10(14)13-6-4-11(9-13)3-2-5-12-8-11/h12H,2-9H2,1H3
• InChIKey: GMMLDYNLAUGYCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2,7-diazaspiro[4.5]decan-2-yl}-2-methoxyethan-1-one
• IUPAC Traditional name: 1-{2,7-diazaspiro[4.5]decan-2-yl}-2-methoxyethanone
• Synonyms: 2-(methoxyacetyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.831392
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8166876
• LogD (pH = 7.4): -3.201894
• Log P: -0.59232336
• Molar Refractivity: 58.1996 cm^3
• Polarizability: 22.96912 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.1
• LOG S: -2.15
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2