8-(2-aminoacetyl)-3-{3-[methyl(2-methylpropyl)amino]propyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 593884
• Molecular Formular: C17H32N4O3
• Molecular Mass: 340.46098
• Monoisotopic Mass: 340.2474409
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)CN)CC2)CCCN(CC(C)C)C
• Canonical SMILES: NCC(=O)N1CCC2(CC1)CN(C(=O)O2)CCCN(CC(C)C)C
• InChI: InChI=1S/C17H32N4O3/c1-14(2)12-19(3)7-4-8-21-13-17(24-16(21)23)5-9-20(10-6-17)15(22)11-18/h14H,4-13,18H2,1-3H3
• InChIKey: SVEXYLFDJMGEEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-aminoacetyl)-3-{3-[methyl(2-methylpropyl)amino]propyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2-aminoacetyl)-3-{3-[methyl(2-methylpropyl)amino]propyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-glycyl-3-{3-[isobutyl(methyl)amino]propyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -6.510803
• LogD (pH = 7.4): -3.9537542
• Log P: -0.55892324
• Molar Refractivity: 93.5142 cm^3
• Polarizability: 36.763264 Å^3
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.01
• LOG S: -2.54
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 7