| CAS Number | 1785534-02-2 |
| Catalog Number | AG01B4TU |
| Chemical Name | 3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.2.0]heptane-6-carboxylic acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]heptane-6-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-5-7-4-8(10(14)15)9(7)6-13/h7-9H,4-6H2,1-3H3,(H,14,15) |
| InChI Key | MPPZAZVZDNQLNZ-UHFFFAOYSA-N |
| MDL Number | MFCD26406441 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | CC(OC(N1CC2C(CC2C(O)=O)C1)=O)(C)C |
| Synonyms | 3-(tert-Butoxycarbonyl)-3-azabicyclo[3.2.0]heptane-6-carboxylic acid,
1785534-02-2,
CS-0058916,
3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.2.0]heptane-6-carboxylic acid,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number