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1027343-55-0 | 3-Azatricyclo[5.1.1.02,5]nonane-3-carboxylic acid, 8,8-dimethyl-4-oxo-, 1,1-dimethylethyl ester, (1R,2R,5S,7R)-
CAS No: 1027343-55-0 Catalog No: AG00088T MDL No:
Product Description
Catalog Number:
AG00088T
Chemical Name:
3-Azatricyclo[5.1.1.02,5]nonane-3-carboxylic acid, 8,8-dimethyl-4-oxo-, 1,1-dimethylethyl ester, (1R,2R,5S,7R)-
CAS Number:
1027343-55-0
Molecular Formula:
C15H23NO3
Molecular Weight:
265.3480
IUPAC Name:
tert-butyl (1R,2R,5S,7R)-8,8-dimethyl-4-oxo-3-azatricyclo[5.1.1.02,5]nonane-3-carboxylate
InChI:
InChI=1S/C15H23NO3/c1-14(2,3)19-13(18)16-11-9(12(16)17)6-8-7-10(11)15(8,4)5/h8-11H,6-7H2,1-5H3/t8-,9-,10-,11-/m0/s1
InChI Key:
IWEKQEFTRFAESQ-NAKRPEOUSA-N
SMILES:
O=C(N1C(=O)[C@@H]2[C@H]1[C@@H]1C[C@H](C2)C1(C)C)OC(C)(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
265.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.353g/mol
Monoisotopic Mass:
265.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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