tert-butyl 1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate

• ChemBase ID: 287931
• Molecular Formular: C13H20N2O4
• Molecular Mass: 268.3089
• Monoisotopic Mass: 268.14230713
• SMILES: O=C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1
• Canonical SMILES: O=C(N1CCC2(CC1)CC(=O)NC2=O)OC(C)(C)C
• InChI: InChI=1S/C13H20N2O4/c1-12(2,3)19-11(18)15-6-4-13(5-7-15)8-9(16)14-10(13)17/h4-8H2,1-3H3,(H,14,16,17)
• InChIKey: XGZBXPKVWLHOFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
• IUPAC Traditional name: tert-butyl 1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
• Synonyms: 8-Boc-1,3-dioxo-2,8-diazaspiro[4.5]decane

Database IDs

• CAS Number: 752234-60-9
• PubChem SID: 180673462
• PubChem CID: 53234195

CALCULATED PROPERTIES

• Acid pKa: 10.423089
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.24877271
• LogD (pH = 7.4): 0.24837093
• Log P: 0.24877784
• Molar Refractivity: 67.5822 cm^3
• Polarizability: 26.49161 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%