| CAS Number | 1217790-09-4 |
| Catalog Number | AG019EQQ(AGN-PC-0WG4VZ) |
| Chemical Name | rel-(1R,2R,3R,4S)-3-((tert-Butoxycarbonyl)amino)bicyclo[2.2.1]heptane-2-carboxylic acid |
| IUPAC Name | (1R,2R,3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-2-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h7-10H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9-,10-/m1/s1 |
| InChI Key | BWIMUIWFDXMFLE-UTINFBMNSA-N |
| MDL Number | MFCD31579939 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C([C@@H]1[C@]2(C[C@@]([C@H]1NC(OC(C)(C)C)=O)(CC2)[H])[H])O |
| Synonyms | 1217790-09-4,
(1R,2S,3R,4S)-3-((tert-Butoxycarbonyl)amino)bicyclo[2.2.1]heptane-2-carboxylic acid,
Trans-3-Exo-((Tert-Butoxycarbonyl)Amino)Bicyclo[2.2.1]Heptane-2-Endo-Carboxylic Acid,
ZINC12505600,
CS-0037931,
(1R,2R,3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-2-carboxylic acid,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number