Home Carboxys rac-(1R,5R,6R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[3.1.0]hexane-6-carboxylic acid

rac-(1R,5R,6R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[3.1.0]hexane-6-carboxylic acid

CAS No.:
1989638-05-2
Catalog Number:
AG01B6GO
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
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Product Description
Catalog Number:
AG01B6GO
Chemical Name:
rac-(1R,5R,6R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[3.1.0]hexane-6-carboxylic acid
CAS Number:
1989638-05-2
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD30347833
IUPAC Name:
(1R,5R,6R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-6-carboxylic acid
InChI:
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-4-6-7(8(6)12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8-/m1/s1
InChI Key:
YYPAAJPKVQFPKB-BWZBUEFSSA-N
SMILES:
OC(=O)[C@@H]1[C@@H]2[C@H]1N(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
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:
0.9  
Properties