tert-butyl (1S,5S)-5'-oxo-8-azaspiro[bicyclo[3.2.1]octane-3,3'-pyrrolidine]-8-carboxylate

• ChemBase ID: 799513
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: [C@@H]12N([C@H](CC3(C1)CNC(=O)C3)CC2)C(=O)OC(C)(C)C
• Canonical SMILES: O=C1NCC2(C1)C[C@@H]1CC[C@@H](C2)N1C(=O)OC(C)(C)C
• InChI: InChI=1S/C15H24N2O3/c1-14(2,3)20-13(19)17-10-4-5-11(17)7-15(6-10)8-12(18)16-9-15/h10-11H,4-9H2,1-3H3,(H,16,18)/t10-,11-/m0/s1
• InChIKey: BVZLMGZDGLPDSB-QWRGUYRKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (1S,5S)-5'-oxo-8-azaspiro[bicyclo[3.2.1]octane-3,3'-pyrrolidine]-8-carboxylate
• IUPAC Traditional name: tert-butyl (1S,5S)-5'-oxo-8-azaspiro[bicyclo[3.2.1]octane-3,3'-pyrrolidine]-8-carboxylate
• Synonyms: (1R,3s,5S)-tert-butyl 5'-oxo-8-azaspiro[bicyclo[3.2.1]octane-3,3'-pyrrolidine]-8-carboxylate

Database IDs

• CAS Number: 1263279-47-5

CALCULATED PROPERTIES

• Acid pKa: 14.593878
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8319447
• LogD (pH = 7.4): 0.83194476
• Log P: 0.8319448
• Molar Refractivity: 74.2343 cm^3
• Polarizability: 29.314669 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%