| CAS Number | 1823862-55-0 |
| Catalog Number | AG01DJBZ(AGN-PC-0WG4PM) |
| Chemical Name | 9-Azabicyclo[3.3.1]nonane-3,9-dicarboxylic acid, 2-oxo-, 9-(1,1-dimethylethyl) 3-methyl ester |
| IUPAC Name | 9-O-tert-butyl 3-O-methyl 2-oxo-9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate |
| InChI | InChI=1S/C15H23NO5/c1-15(2,3)21-14(19)16-9-6-5-7-11(16)12(17)10(8-9)13(18)20-4/h9-11H,5-8H2,1-4H3 |
| InChI Key | GIUACIBLSZTGJB-UHFFFAOYSA-N |
| MDL Number | MFCD27997339 |
| Molecular Formula | C15H23NO5 |
| Molecular Weight | 297.3468 |
| SMILES | C(=O)(OC(C)(C)C)N1C2C(=O)C(CC1CCC2)C(=O)OC |
| Synonyms | 1823862-55-0,
9-tert-Butyl 3-methyl 2-oxo-9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate,
MFCD27997339,
AKOS027430149,
CS-0047372,
9-t-Butyl 3-methyl 2-oxo-9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate,
9-(tert-Butyl) 3-methyl 2-oxo-9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate,
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| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.351g/mol |
| Monoisotopic Mass | 297.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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