tert-butyl 8-amino-5-azaspiro[3.5]nonane-5-carboxylate

• ChemBase ID: 253362
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: N1(C(=O)OC(C)(C)C)C2(CC(CC1)N)CCC2
• Canonical SMILES: NC1CCN(C2(C1)CCC2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-5-10(14)9-13(15)6-4-7-13/h10H,4-9,14H2,1-3H3
• InChIKey: VMQKCXQYZGGLIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 8-amino-5-azaspiro[3.5]nonane-5-carboxylate
• IUPAC Traditional name: tert-butyl 8-amino-5-azaspiro[3.5]nonane-5-carboxylate
• Synonyms: tert-butyl 8-amino-5-azaspiro[3.5]nonane-5-carboxylate

Database IDs

• MDL Number: MFCD09040608
• PubChem SID: 164309272
• PubChem CID: 16228675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8818356
• LogD (pH = 7.4): -1.30095
• Log P: 1.1353943
• Molar Refractivity: 66.7721 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.754

Product Information

• Purity: 95%