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(1R,3S)-3-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid; (1S,3R)-3-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid

(1R,3S)-3-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid; (1S,3R)-3-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid

CAS: 222530-33-8

Formula: C24H42N2O8

SMILES: CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C1)C(O)=O.CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C1)C(O)=O

IUPAC: (1R,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid; (1S,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid

InChI: InChI=1S/2C12H21NO4/c2*1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h2*8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t2*8-,9+/m10/s1

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

Molar Mass: 486.606

Atom Count: 76

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 486.29411632
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UWAXFAAQFPDAOT-QUOODJBBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.05
Topological Polar Surface Area 75.63
Polarizability 24.58
Ring Count 2
Rotatable Bond Count 8

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