(3R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid

(3R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid

CAS: 149681-02-7

Formula: C13H21NO4

SMILES: CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(O)=O

IUPAC: (3R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid

InChI: InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-6-4-8(5-7-9)10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8?,9?,10-/m1/s1

Composition: C (61.16%), H (8.29%), N (5.49%), O (25.07%)

Molar Mass: 255.314

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	255.14705816
Formal Charge	0
FSP3	0.85
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RRRWAYWNXBSUFV-UDNWOFFPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.67
Topological Polar Surface Area	66.84
Polarizability	25.7
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	149681-02-7		$273.64-$422.44$273.64$422.44