tert-butyl 1-oxa-6-azaspiro[3.4]octane-6-carboxylate

• ChemBase ID: 61711
• Molecular Formular: C11H19NO3
• Molecular Mass: 213.27346
• Monoisotopic Mass: 213.13649347
• SMILES: O1CCC21CN(CC2)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC2(C1)CCO2)OC(C)(C)C
• InChI: InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-11(8-12)5-7-14-11/h4-8H2,1-3H3
• InChIKey: PRHMPBQWFJKGJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1-oxa-6-azaspiro[3.4]octane-6-carboxylate
• IUPAC Traditional name: tert-butyl 1-oxa-6-azaspiro[3.4]octane-6-carboxylate
• Synonyms: 1-Oxa-6-azaspiro[3.4]octane-6-carboxylic acid tert-butyl ester

Database IDs

• CAS Number: 1264635-65-5
• MDL Number: MFCD18782888
• PubChem SID: 162027452
• PubChem CID: 56773880

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.80374444
• LogD (pH = 7.4): 0.80374444
• Log P: 0.80374444
• Molar Refractivity: 56.0846 cm^3
• Polarizability: 22.159397 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: false