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(1S,2S)-2-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid

(1S,2S)-2-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid

CAS: 488703-60-2

Formula: C12H21NO4

SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(O)=O

IUPAC: (1S,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid

InChI: InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8(9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1

Composition: C (59.24%), H (8.70%), N (5.76%), O (26.30%)

Molar Mass: 243.303

Atom Count: 38

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 243.14705816
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QJEQJDJFJWWURK-IUCAKERBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.89
Topological Polar Surface Area 75.63
Polarizability 24.58
Ring Count 1
Rotatable Bond Count 4

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