| CAS Number | 1242184-46-8 |
| Catalog Number | AG00AA2U |
| Chemical Name | (1S,2R,3S,4R)-3-(tert-butoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| IUPAC Name | (1S,2R,3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| InChI | InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h4-5,7-10H,6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9-,10+/m1/s1 |
| InChI Key | ZPMJBHUNSHDFPT-RGOKHQFPSA-N |
| MDL Number | MFCD16987421 |
| Molecular Formula | C13H19NO4 |
| Molecular Weight | 253.2943 |
| SMILES | O=C(OC(C)(C)C)N[C@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)O)C2 |
| Synonyms | BOC-3-ENDO-AMINOBICYCLO[2.2.1]-HEPT-5-ENE-2-ENDO-CARBOXYLIC ACID,
1242184-46-8,
(1S,2R,3S,4R)-3-(tert-butoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid,
148257-12-9,
SCHEMBL12565076,
diendo-3-tert-Butoxycarbonylamino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid,
ZINC2583297,
4564AD,
MFCD16987421,
AB12263,
FCH3957122,
W-9683,
C13H19NO4,
ZPMJBHUNSHDFPT-RGOKHQFPSA-N,
RAC-(1S,2R,3S,4R)-3-[(TERT-BUTOXYCARBONYL)AMINO]BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.298g/mol |
| Monoisotopic Mass | 253.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number