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1887167-87-4 | 9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3-endo)-
CAS No: 1887167-87-4 Catalog No: AG002H70 MDL No:MFCD12198904
Product Description
Catalog Number:
AG002H70
Chemical Name:
9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3-endo)-
CAS Number:
1887167-87-4
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
MDL Number:
MFCD12198904
IUPAC Name:
tert-butyl (1R,5S)-3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate
InChI:
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-5-4-6-11(15)8-9(14)7-10/h9-11H,4-8,14H2,1-3H3/t9?,10-,11+
InChI Key:
WVEPNZWEHKIHOM-FGWVZKOKSA-N
SMILES:
N[C@@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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