Home Carboxys 2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-hydroxy-,1,1-dimethylethyl ester, (1R,4R,5S)-rel-

2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-hydroxy-,1,1-dimethylethyl ester, (1R,4R,5S)-rel-

CAS No.:
617714-54-2
Catalog Number:
AG00ILBV
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
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Product Description
Catalog Number:
AG00ILBV
Chemical Name:
2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-hydroxy-,1,1-dimethylethyl ester, (1R,4R,5S)-rel-
CAS Number:
617714-54-2
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
IUPAC Name:
tert-butyl (1S,4S,5R)-5-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-8-4-5-9(13)6-10(8)14/h8-10,14H,4-7H2,1-3H3/t8-,9-,10+/m0/s1
InChI Key:
FNZOIHBLVUIGLG-LPEHRKFASA-N
SMILES:
O[C@H]1C[C@H]2CC[C@@H]1CN2C(=O)OC(C)(C)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties