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ethyl (1r,4r)-4-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylate

ethyl (1r,4r)-4-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylate

CAS: 169044-84-2

Formula: C14H25NO4

SMILES: CCOC(=O)[C@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C

IUPAC: ethyl (1r,4r)-4-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylate

InChI: InChI=1/C14H25NO4/c1-5-18-12(16)10-6-8-11(9-7-10)15-13(17)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,15,17)/t10-,11-

Composition: C (61.97%), H (9.29%), N (5.16%), O (23.58%)

Molar Mass: 271.357

Atom Count: 44

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 271.178358289
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KDAADPYICYRBEM-XYPYZODXNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.56
Topological Polar Surface Area 64.63
Polarizability 28.49
Ring Count 1
Rotatable Bond Count 6

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