2-{9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl}acetamide

• ChemBase ID: 677614
• Molecular Formular: C15H27N3O3
• Molecular Mass: 297.39318
• Monoisotopic Mass: 297.20524174
• SMILES: N1(C(=O)CCC2(C1)CCN(C[C@H](CO)C)CC2)CC(=O)N
• Canonical SMILES: OC[C@@H](CN1CCC2(CC1)CCC(=O)N(C2)CC(=O)N)C
• InChI: InChI=1S/C15H27N3O3/c1-12(10-19)8-17-6-4-15(5-7-17)3-2-14(21)18(11-15)9-13(16)20/h12,19H,2-11H2,1H3,(H2,16,20)/t12-/m1/s1
• InChIKey: CYUKQCNARNMAHI-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl}acetamide
• IUPAC Traditional name: 2-{9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl}acetamide
• Synonyms: 2-{9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undec-2-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3545065
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.7934966
• LogD (pH = 7.4): -3.5186286
• Log P: -1.4050652
• Molar Refractivity: 80.6311 cm^3
• Polarizability: 31.491812 Å^3
• Polar Surface Area: 86.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.15
• LOG S: -1.7
• Polar Surface Area: 86.87 Å^2
• Rotatable Bonds: 5