tert-butyl 1-amino-3-ethoxy-7-azaspiro[3.5]nonane-7-carboxylate

• ChemBase ID: 282831
• Molecular Formular: C15H28N2O3
• Molecular Mass: 284.39442
• Monoisotopic Mass: 284.20999277
• SMILES: C12(C(CC1OCC)N)CCN(C(=O)OC(C)(C)C)CC2
• Canonical SMILES: CCOC1CC(C21CCN(CC2)C(=O)OC(C)(C)C)N
• InChI: InChI=1S/C15H28N2O3/c1-5-19-12-10-11(16)15(12)6-8-17(9-7-15)13(18)20-14(2,3)4/h11-12H,5-10,16H2,1-4H3
• InChIKey: PFTNAMMYIVNWTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1-amino-3-ethoxy-7-azaspiro[3.5]nonane-7-carboxylate
• IUPAC Traditional name: tert-butyl 1-amino-3-ethoxy-7-azaspiro[3.5]nonane-7-carboxylate
• Synonyms: tert-butyl 1-amino-3-ethoxy-7-azaspiro[3.5]nonane-7-carboxylate

Database IDs

• MDL Number: MFCD20441698
• PubChem SID: 180668362
• PubChem CID: 54595544

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1217961
• LogD (pH = 7.4): -1.1916941
• Log P: 0.86722624
• Molar Refractivity: 77.7977 cm^3
• Polarizability: 31.029112 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.116

Product Information

• Purity: 95%