tert-butyl 7-oxo-3-azaspiro[5.5]undecane-3-carboxylate

• ChemBase ID: 799673
• Molecular Formular: C15H25NO3
• Molecular Mass: 267.3639
• Monoisotopic Mass: 267.18344367
• SMILES: C1CN(CCC21C(=O)CCCC2)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC2(CC1)CCCCC2=O)OC(C)(C)C
• InChI: InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)7-5-4-6-12(15)17/h4-11H2,1-3H3
• InChIKey: WPVRVDKDXFXDFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 7-oxo-3-azaspiro[5.5]undecane-3-carboxylate
• IUPAC Traditional name: tert-butyl 7-oxo-3-azaspiro[5.5]undecane-3-carboxylate
• Synonyms: tert-butyl 7-oxo-3-azaspiro[5.5]undecane-3-carboxylate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7304437
• LogD (pH = 7.4): 2.7304437
• Log P: 2.7304437
• Molar Refractivity: 73.5482 cm^3
• Polarizability: 28.884956 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%