tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

• ChemBase ID: 289014
• Molecular Formular: C13H24N2O3
• Molecular Mass: 256.34126
• Monoisotopic Mass: 256.17869264
• SMILES: NC1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1
• Canonical SMILES: NC1COC2(C1)CCN(CC2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-4-13(5-7-15)8-10(14)9-17-13/h10H,4-9,14H2,1-3H3
• InChIKey: GBLUNQGZHFQTPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
• IUPAC Traditional name: tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
• Synonyms: tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate; 8-Boc-3-amino-1-oxa-8-azaspiro[4.5]decane

Database IDs

• CAS Number: 1160246-91-2
• MDL Number: MFCD12198529
• PubChem SID: 180674545
• PubChem CID: 46835582

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8738997
• LogD (pH = 7.4): -2.0503554
• Log P: 0.12648745
• Molar Refractivity: 68.57 cm^3
• Polarizability: 27.356264 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%