tert-butyl 5-azaspiro[3.4]octane-5-carboxylate

• ChemBase ID: 61714
• Molecular Formular: C12H21NO2
• Molecular Mass: 211.30064
• Monoisotopic Mass: 211.15722892
• SMILES: C1CC2(N(C1)C(=O)OC(C)(C)C)CCC2
• Canonical SMILES: O=C(N1CCCC21CCC2)OC(C)(C)C
• InChI: InChI=1S/C12H21NO2/c1-11(2,3)15-10(14)13-9-5-8-12(13)6-4-7-12/h4-9H2,1-3H3
• InChIKey: FFHCAKPTFKJGPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 5-azaspiro[3.4]octane-5-carboxylate
• IUPAC Traditional name: tert-butyl 5-azaspiro[3.4]octane-5-carboxylate
• Synonyms: 2-Oxa-5-azaspiro[3.4]octane-5-carboxylic acid tert-butyl ester

Database IDs

• CAS Number: 1245816-30-1
• MDL Number: MFCD18325161
• PubChem SID: 162027455
• PubChem CID: 71298526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.330014
• LogD (pH = 7.4): 2.330014
• Log P: 2.330014
• Molar Refractivity: 58.9313 cm^3
• Polarizability: 23.27808 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: false