Home Carboxys (1S,4R,6R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.2]octane-6-carboxylic acid

(1S,4R,6R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.2]octane-6-carboxylic acid

CAS No.:
863583-32-8
Catalog Number:
AG01DHTI
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
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Product Description
Catalog Number:
AG01DHTI
Chemical Name:
(1S,4R,6R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.2]octane-6-carboxylic acid
CAS Number:
863583-32-8
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD31705367
IUPAC Name:
(1R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-6-carboxylic acid
InChI:
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-7-8-4-5-10(14)9(6-8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9?,10-/m1/s1
InChI Key:
BICQNBQLGTZYCQ-RCAUJQPQSA-N
SMILES:
OC(=O)[C@@H]1C[C@H]2CC[C@@H]1N(C2)C(=O)OC(C)(C)C
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties