Home Carboxys 9-​Azabicyclo[3.3.1]​nonane-​9-​carboxylic acid, 3-​hydroxy-​, 1,​1-​dimethylethyl ester, (3-​exo)​-

9-​Azabicyclo[3.3.1]​nonane-​9-​carboxylic acid, 3-​hydroxy-​, 1,​1-​dimethylethyl ester, (3-​exo)​-

CAS No.:
934233-73-5
Catalog Number:
AG00ILEG
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
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Product Description
Catalog Number:
AG00ILEG
Chemical Name:
9-​Azabicyclo[3.3.1]​nonane-​9-​carboxylic acid, 3-​hydroxy-​, 1,​1-​dimethylethyl ester, (3-​exo)​-
CAS Number:
934233-73-5
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD30215786
IUPAC Name:
tert-butyl (5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-11,15H,4-8H2,1-3H3/t9-,10?,11?/m1/s1
InChI Key:
GGTYYYZFCWRSSG-KPPDAEKUSA-N
SMILES:
O[C@@H]1C[C@H]2CCCC(C1)N2C(=O)OC(C)(C)C
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties