8-[(2S)-2-amino-2-cyclopropylacetyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 865268
• Molecular Formular: C20H25F2N3O2
• Molecular Mass: 377.4282064
• Monoisotopic Mass: 377.1914835
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)[C@H](C1CC1)N)CC2)Cc1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(cc(c1)F)CN1CC2(CC1=O)CCN(CC2)C(=O)[C@H](C1CC1)N
• InChI: InChI=1S/C20H25F2N3O2/c21-15-7-13(8-16(22)9-15)11-25-12-20(10-17(25)26)3-5-24(6-4-20)19(27)18(23)14-1-2-14/h7-9,14,18H,1-6,10-12,23H2/t18-/m0/s1
• InChIKey: FDKUASVBBHSKKJ-SFHVURJKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2S)-2-amino-2-cyclopropylacetyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[(2S)-2-amino-2-cyclopropylacetyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(2S)-2-amino-2-cyclopropylacetyl]-2-(3,5-difluorobenzyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7755464
• LogD (pH = 7.4): -0.18444355
• Log P: 0.9353192
• Molar Refractivity: 96.9128 cm^3
• Polarizability: 37.266834 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.46
• LOG S: -3.2
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 4