8-(2-aminoacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 626391
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CN)CCC2)Cc1ncccc1
• Canonical SMILES: NCC(=O)N1CCCC2(C1)CCC(=O)N(C2)Cc1ccccn1
• InChI: InChI=1S/C17H24N4O2/c18-10-16(23)20-9-3-6-17(12-20)7-5-15(22)21(13-17)11-14-4-1-2-8-19-14/h1-2,4,8H,3,5-7,9-13,18H2
• InChIKey: SBFILMAVMBFISG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-aminoacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(2-aminoacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-glycyl-2-(2-pyridinylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3839498
• LogD (pH = 7.4): -1.6824064
• Log P: -0.8783426
• Molar Refractivity: 86.5606 cm^3
• Polarizability: 34.019535 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.53
• LOG S: -1.06
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 3