8-(2-methoxypyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

• ChemBase ID: 381183
• Molecular Formular: C15H19N3O4
• Molecular Mass: 305.32906
• Monoisotopic Mass: 305.1375561
• SMILES: C(=O)(c1c(nccc1)OC)N1CCC2(OC(=O)NC2)CCC1
• Canonical SMILES: COc1ncccc1C(=O)N1CCCC2(CC1)CNC(=O)O2
• InChI: InChI=1S/C15H19N3O4/c1-21-12-11(4-2-7-16-12)13(19)18-8-3-5-15(6-9-18)10-17-14(20)22-15/h2,4,7H,3,5-6,8-10H2,1H3,(H,17,20)
• InChIKey: BUDIBHYDIBPXLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-methoxypyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• IUPAC Traditional name: 8-(2-methoxypyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• Synonyms: 8-[(2-methoxy-3-pyridinyl)carbonyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.348277
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4092101
• LogD (pH = 7.4): 0.40926892
• Log P: 0.40927404
• Molar Refractivity: 78.564 cm^3
• Polarizability: 30.053812 Å^3
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.62
• LOG S: -1.96
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 2