Home Carboxys 2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid

2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid

CAS No.:
1936695-68-9
Catalog Number:
AG00ILDA
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96.7%
1 week
United States
$1288
- +
5g
96.7%
1 week
United States
$3877
- +
Product Description
Catalog Number:
AG00ILDA
Chemical Name:
2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid
CAS Number:
1936695-68-9
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD28388972
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-4-carboxylic acid
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-13(10(15)16)6-4-9(14)5-7-13/h9H,4-8H2,1-3H3,(H,15,16)
InChI Key:
NYCIWWDVTWBDIL-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(CCC1CC2)C(=O)O)OC(C)(C)C
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties