| CAS Number | 219996-49-3 |
| Catalog Number | AG00I4AI(AGN-PC-0QYIFB) |
| Chemical Name | Bicyclo[2.2.2]octane-1-carboxylic acid,4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- |
| IUPAC Name | 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid |
| InChI | InChI=1S/C15H25NO4/c1-13(2,3)20-12(19)16-10-14-4-7-15(8-5-14,9-6-14)11(17)18/h4-10H2,1-3H3,(H,16,19)(H,17,18) |
| InChI Key | ZTXFFJDDDPLMAH-UHFFFAOYSA-N |
| MDL Number | MFCD24465708 |
| Molecular Formula | C15H25NO4 |
| Molecular Weight | 283.3633 |
| SMILES | O=C(NCC12CCC(C(O)=O)(CC2)CC1)OC(C)(C)C |
| Synonyms | 4-(((tert-Butoxycarbonyl)amino)methyl)bicyclo[2.2.2]octane-1-carboxylic acid,
219996-49-3,
SCHEMBL6798730,
AKOS027338949,
ZINC150104292,
OR312501,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.368g/mol |
| Monoisotopic Mass | 283.178g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number