tert-butyl (1R,3S,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1R,3S,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS: 1147558-40-4

Formula: C13H20N2O2

SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)C#N

IUPAC: tert-butyl (1R,3S,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate

InChI: InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-10-4-5-11(15)7-9(6-10)8-14/h9-11H,4-7H2,1-3H3/t9-,10-,11+

Composition: C (66.07%), H (8.53%), N (11.85%), O (13.54%)

Molar Mass: 236.315

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	236.152477892
Formal Charge	0
FSP3	0.85
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UVURMTGIVKSLEM-RTCCRHLQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.93
Topological Polar Surface Area	53.33
Polarizability	24.98
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1147558-40-4		$89.01-$1,445.90$89.01$117.99$1,445.90

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	1147558-40-4		$273.70$273.70

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1147558-40-4		$305.16$305.16