| CAS Number | 1932203-02-5 |
| Catalog Number | AG00J2GF(AGN-PC-0WRB8A) |
| Chemical Name | (1S,4R,7R)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid |
| IUPAC Name | (1S,4R,7R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-7-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-6-7-4-5-8(13)9(7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9+/m0/s1 |
| InChI Key | ICEBNUREWSCJKO-XHNCKOQMSA-N |
| MDL Number | MFCD22395390 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | N1(C[C@H]2[C@@H](C(O)=O)[C@@H]1CC2)C(=O)OC(C)(C)C |
| Synonyms | 1932203-02-5,
rac-(1S,4R,7R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid,
MFCD22395390,
ZINC66351347,
rac-(1S,4R,7R)-2-(t-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-7-carboxylic acid,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.287g/mol |
| Monoisotopic Mass | 241.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number