methyl (1R,3S)-3-aminocyclohexane-1-carboxylate

methyl (1R,3S)-3-aminocyclohexane-1-carboxylate

CAS: 1334036-99-5

Formula: C8H15NO2

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

IUPAC: methyl (1R,3S)-3-aminocyclohexane-1-carboxylate

InChI: InChI=1S/C8H15NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h6-7H,2-5,9H2,1H3/t6-,7+/m1/s1

Composition: C (61.12%), H (9.62%), N (8.91%), O (20.35%)

Molar Mass: 157.213

Atom Count: 26

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	157.110278727
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZMMITUCIAZVHCG-RQJHMYQMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.94
Topological Polar Surface Area	52.32
Polarizability	17.03
Ring Count	1
Rotatable Bond Count	2

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97%	<2 Days	1334036-99-5		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70