tert-butyl 1-amino-3-ethoxy-6-azaspiro[3.4]octane-6-carboxylate

• ChemBase ID: 282829
• Molecular Formular: C14H26N2O3
• Molecular Mass: 270.36784
• Monoisotopic Mass: 270.1943427
• SMILES: C12(CN(C(=O)OC(C)(C)C)CC2)C(CC1OCC)N
• Canonical SMILES: CCOC1CC(C21CCN(C2)C(=O)OC(C)(C)C)N
• InChI: InChI=1S/C14H26N2O3/c1-5-18-11-8-10(15)14(11)6-7-16(9-14)12(17)19-13(2,3)4/h10-11H,5-9,15H2,1-4H3
• InChIKey: MTYMMSZJEKTXTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1-amino-3-ethoxy-6-azaspiro[3.4]octane-6-carboxylate
• IUPAC Traditional name: tert-butyl 1-amino-3-ethoxy-6-azaspiro[3.4]octane-6-carboxylate
• Synonyms: tert-butyl 1-amino-3-ethoxy-6-azaspiro[3.4]octane-6-carboxylate

Database IDs

• MDL Number: MFCD20441696
• PubChem SID: 180668360
• PubChem CID: 54595542

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3951283
• LogD (pH = 7.4): -1.3567936
• Log P: 0.578565
• Molar Refractivity: 73.0427 cm^3
• Polarizability: 29.192114 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.646

Product Information

• Purity: 95%