ethyl 6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

• ChemBase ID: 799664
• Molecular Formular: C10H16N2O3
• Molecular Mass: 212.24564
• Monoisotopic Mass: 212.11609238
• SMILES: N1(CCCC21C(=O)NCC2)C(=O)OCC
• Canonical SMILES: CCOC(=O)N1CCCC21CCNC2=O
• InChI: InChI=1S/C10H16N2O3/c1-2-15-9(14)12-7-3-4-10(12)5-6-11-8(10)13/h2-7H2,1H3,(H,11,13)
• InChIKey: UJTODIWJEALNSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
• IUPAC Traditional name: ethyl 6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
• Synonyms: ethyl 6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 14.060848
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.12997386
• LogD (pH = 7.4): -0.12997395
• Log P: -0.12997386
• Molar Refractivity: 53.5824 cm^3
• Polarizability: 20.879553 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 2

PROPERTIES

Product Information

• Purity: 98%