Home Carboxys tert-butyl (1S,3R,5R)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate

tert-butyl (1S,3R,5R)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate

CAS No.:
1821401-91-5
Catalog Number:
AG01C303
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
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Product Description
Catalog Number:
AG01C303
Chemical Name:
tert-butyl (1S,3R,5R)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CAS Number:
1821401-91-5
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD18533706
IUPAC Name:
tert-butyl (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-12(2,3)17-11(15)14-9-4-5-10(14)7-13(6-9)8-16-13/h9-10H,4-8H2,1-3H3/t9-,10+,13?
InChI Key:
CPDRWKNXZSZLBV-HWYHXSKPSA-N
SMILES:
O=C(N1[C@@H]2CC[C@H]1C[C@@]1(C2)CO1)OC(C)(C)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties