8-(1-aminocyclopropanecarbonyl)-3-{2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 387363
• Molecular Formular: C19H33N5O3
• Molecular Mass: 379.49702
• Monoisotopic Mass: 379.25833994
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C1(CC1)N)CC2)CCN1CC(CC1)N(C)C
• Canonical SMILES: CN(C1CCN(C1)CCN1CC2(OC1=O)CCN(CC2)C(=O)C1(N)CC1)C
• InChI: InChI=1S/C19H33N5O3/c1-21(2)15-3-8-22(13-15)11-12-24-14-18(27-17(24)26)6-9-23(10-7-18)16(25)19(20)4-5-19/h15H,3-14,20H2,1-2H3
• InChIKey: ULRKHZYJUKCQEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-aminocyclopropanecarbonyl)-3-{2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(1-aminocyclopropanecarbonyl)-3-{2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(1-aminocyclopropyl)carbonyl]-3-{2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -7.2330246
• LogD (pH = 7.4): -4.2110806
• Log P: -1.202628
• Molar Refractivity: 102.7413 cm^3
• Polarizability: 40.523037 Å^3
• Polar Surface Area: 82.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.87
• LOG S: -2.53
• Polar Surface Area: 82.35 Å^2
• Rotatable Bonds: 5