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

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

CAS: 1008773-73-6

Formula: C12H21NO4

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

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

InChI: InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)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	JSGHMGKJNZTKGF-IUCAKERBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.05
Topological Polar Surface Area	75.63
Polarizability	24.58
Ring Count	1
Rotatable Bond Count	4

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