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Home Carboxys 2-[(tert-Butoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

2-[(tert-Butoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

CAS No.:
127926-24-3
Catalog Number:
AG009K2H
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$161
- +
250mg
95%
In Stock USA
United States
$322
- +
Product Description
Catalog Number:
AG009K2H
Chemical Name:
2-[(tert-Butoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CAS Number:
127926-24-3
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD09040636
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
InChI:
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-6-7-4-11(12,5-7)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChI Key:
ZCFGFDBKCBPYHR-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CC1(C2)C(=O)O)OC(C)(C)C
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Complex-induced proximity effects. Temperature-dependent regiochemical diversity in lithiation-electrophilic substitution reactions of N-BOC-2-azabicyclo[2.1.1]hexane. 2,4- and 3,5-methanoprolines. Organic letters 20020905
Properties