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methyl (1s,4s)-4-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylate

methyl (1s,4s)-4-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylate

CAS: 364385-64-8

Formula: C13H23NO4

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

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

InChI: InChI=1/C13H23NO4/c1-13(2,3)18-12(16)14-10-7-5-9(6-8-10)11(15)17-4/h9-10H,5-8H2,1-4H3,(H,14,16)/t9-,10+

Composition: C (60.68%), H (9.01%), N (5.44%), O (24.87%)

Molar Mass: 257.33

Atom Count: 41

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 257.162708225
Formal Charge 0
FSP3 0.85
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RKOQMDUDKCMVFW-AOOOYVTPNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.81
Topological Polar Surface Area 64.63
Polarizability 26.66
Ring Count 1
Rotatable Bond Count 5

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97% <5 Days 364385-64-8 $70.62-$305.16$70.62$204.28$305.16
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