| CAS Number | 1272757-92-2 |
| Catalog Number | AG019EMY(AGN-PC-0WG4OL) |
| Chemical Name | (3S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
| IUPAC Name | 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
| InChI | InChI=1S/C12H18FNO4/c1-12(2,3)18-11(17)14-6-4-7(8(13)5-6)9(14)10(15)16/h6-9H,4-5H2,1-3H3,(H,15,16) |
| InChI Key | ZZOLHPFGDKIOCE-UHFFFAOYSA-N |
| MDL Number | MFCD28390375 |
| Molecular Formula | C12H18FNO4 |
| Molecular Weight | 259.274 |
| SMILES | OC(=O)[C@@H]1C2CC(N1C(=O)OC(C)(C)C)C[C@@H]2F |
| Synonyms | SCHEMBL15064895,
1272757-14-8,
1272757-92-2,
Racemic-(1S,3S,4S,5R)-2-(Tert-Butoxycarbonyl)-5-Fluoro-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid,
Racemic-(1S,3S,4S,5S)-2-(Tert-Butoxycarbonyl)-5-Fluoro-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.277g/mol |
| Monoisotopic Mass | 259.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number