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ethyl (1S,3R,4R)-4-[(tert-butoxycarbonyl)amino]-3-hydroxycyclohexane-1-carboxylate

ethyl (1S,3R,4R)-4-[(tert-butoxycarbonyl)amino]-3-hydroxycyclohexane-1-carboxylate

CAS: 1392745-47-9

Formula: C14H25NO5

SMILES: CCOC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1

IUPAC: ethyl (1S,3R,4R)-4-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclohexane-1-carboxylate

InChI: InChI=1S/C14H25NO5/c1-5-19-12(17)9-6-7-10(11(16)8-9)15-13(18)20-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,18)/t9-,10+,11+/m0/s1

Composition: C (58.52%), H (8.77%), N (4.87%), O (27.84%)

Molar Mass: 287.356

Atom Count: 45

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 287.173272909
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JOOLXBLTNBWCNP-HBNTYKKESA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.93
Topological Polar Surface Area 84.86
Polarizability 29.15
Ring Count 1
Rotatable Bond Count 6

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