| CAS Number | 1000930-76-6 |
| Catalog Number | AG019KUH |
| Chemical Name | 1-(1-Azabicyclo[2.2.2]oct-3-yl)-2,5-dimethyl-1h-pyrrole-3-carboxylic acid |
| IUPAC Name | 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylpyrrole-3-carboxylic acid |
| InChI | InChI=1S/C14H20N2O2/c1-9-7-12(14(17)18)10(2)16(9)13-8-15-5-3-11(13)4-6-15/h7,11,13H,3-6,8H2,1-2H3,(H,17,18) |
| InChI Key | KAHMWPLCHVMYEH-UHFFFAOYSA-N |
| MDL Number | MFCD09802056 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | CC1N(C2C3CCN(CC3)C2)C(C)=C(C(O)=O)C=1 |
| Synonyms | 1-{1-azabicyclo[2.2.2]octan-3-yl}-2,5-dimethyl-1H-pyrrole-3-carboxylic acid,
1000930-76-6,
1-(1-azabicyclo[2.2.2]oct-3-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid,
CTK7I6988,
AKOS000263583,
AKOS022489985,
MCULE-7443614030,
NE44765,
EN300-28524,
AC1Q2HQH,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152478g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.32g/mol |
| Monoisotopic Mass | 248.152478g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number