tert-butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate

• ChemBase ID: 287125
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: O=C(OC(C)(C)C)N[C@@H]1CNCC21CC2
• Canonical SMILES: O=C(OC(C)(C)C)N[C@@H]1CNCC21CC2
• InChI: InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
• InChIKey: CGEBPOMWRHSMLI-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
• IUPAC Traditional name: tert-butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
• Synonyms: (S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate

Database IDs

• CAS Number: 127199-45-5
• MDL Number: MFCD09955395
• PubChem SID: 180672656
• PubChem CID: 10353141

CALCULATED PROPERTIES

• Acid pKa: 14.677373
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2716584
• LogD (pH = 7.4): -1.7760116
• Log P: 0.9583862
• Molar Refractivity: 57.0399 cm^3
• Polarizability: 22.96912 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%