ethyl 3-[(tert-butoxy)[(tert-butoxy)carbonyl]amino]cyclopentane-1-carboxylate

• ChemBase ID: 812232
• Molecular Formular: C17H31NO5
• Molecular Mass: 329.43174
• Monoisotopic Mass: 329.2202231
• SMILES: C1(CC(CC1)N(C(=O)OC(C)(C)C)OC(C)(C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1CCC(C1)N(C(=O)OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C17H31NO5/c1-8-21-14(19)12-9-10-13(11-12)18(23-17(5,6)7)15(20)22-16(2,3)4/h12-13H,8-11H2,1-7H3
• InChIKey: UDMWNBFJOAYTOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[(tert-butoxy)[(tert-butoxy)carbonyl]amino]cyclopentane-1-carboxylate
• IUPAC Traditional name: ethyl 3-[tert-butoxy(tert-butoxycarbonyl)amino]cyclopentane-1-carboxylate
• Synonyms: 3-TERT-BUTOXY-1-TERT-BUTOXYCARBONYLAMINO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3755255
• LogD (pH = 7.4): 3.3755255
• Log P: 3.3755255
• Molar Refractivity: 87.0151 cm^3
• Polarizability: 34.710854 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%