ethyl 3-({8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl}amino)propanoate

• ChemBase ID: 626645
• Molecular Formular: C15H27N3O3
• Molecular Mass: 297.39318
• Monoisotopic Mass: 297.20524174
• SMILES: N1(C(=O)NCCC(=O)OCC)CC2(CC1)CCN(CC2)C
• Canonical SMILES: CCOC(=O)CCNC(=O)N1CCC2(C1)CCN(CC2)C
• InChI: InChI=1S/C15H27N3O3/c1-3-21-13(19)4-8-16-14(20)18-11-7-15(12-18)5-9-17(2)10-6-15/h3-12H2,1-2H3,(H,16,20)
• InChIKey: KZSZUYAJXKODAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-({8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl}amino)propanoate
• IUPAC Traditional name: ethyl 3-{8-methyl-2,8-diazaspiro[4.5]decane-2-carbonylamino}propanoate
• Synonyms: ethyl 3-{[(8-methyl-2,8-diazaspiro[4.5]dec-2-yl)carbonyl]amino}propanoate

CALCULATED PROPERTIES

JChem

• Log P: -0.08323277
• Molar Refractivity: 81.07 cm^3
• Polarizability: 31.562395 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.445082
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3624387
• LogD (pH = 7.4): -1.8587445

供应商提供(Chembridge)

• Log P: 1.03
• LOG S: -2.25
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1