8-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 676081
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: [C@H]1([C@@H]2[C@H]1CNC2)C(=O)N1CCC2(OC(=O)N(C2)CC)CC1
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)C(=O)[C@@H]1[C@@H]2[C@H]1CNC2
• InChI: InChI=1S/C15H23N3O3/c1-2-17-9-15(21-14(17)20)3-5-18(6-4-15)13(19)12-10-7-16-8-11(10)12/h10-12,16H,2-9H2,1H3/t10-,11+,12+
• InChIKey: OGUJJOHBICDDHL-GDNZZTSVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(1R*,5S*,6r)-3-azabicyclo[3.1.0]hex-6-ylcarbonyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3596315
• LogD (pH = 7.4): -4.1916833
• Log P: -1.1202326
• Molar Refractivity: 76.645 cm^3
• Polarizability: 30.12767 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.01
• LOG S: -2.64
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 2