2-(2-hydroxyethyl)-9-(2-oxoimidazolidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 573763
• Molecular Formular: C15H24N4O4
• Molecular Mass: 324.37546
• Monoisotopic Mass: 324.17975527
• SMILES: C1(C(=O)N2CCC3(CN(C(=O)CC3)CCO)CC2)NC(=O)NC1
• Canonical SMILES: OCCN1CC2(CCN(CC2)C(=O)C2CNC(=O)N2)CCC1=O
• InChI: InChI=1S/C15H24N4O4/c20-8-7-19-10-15(2-1-12(19)21)3-5-18(6-4-15)13(22)11-9-16-14(23)17-11/h11,20H,1-10H2,(H2,16,17,23)
• InChIKey: XHJUURGTPBGKLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyethyl)-9-(2-oxoimidazolidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-hydroxyethyl)-9-(2-oxoimidazolidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-hydroxyethyl)-9-[(2-oxo-4-imidazolidinyl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.345658
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.5632164
• LogD (pH = 7.4): -2.5632167
• Log P: -2.5632162
• Molar Refractivity: 81.8669 cm^3
• Polarizability: 31.685974 Å^3
• Polar Surface Area: 101.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -2.11
• LOG S: -1.07
• Polar Surface Area: 101.98 Å^2
• Rotatable Bonds: 3