| CAS Number | 188854-52-6 |
| Catalog Number | AG019WH6(AGN-PC-06JKRX) |
| Chemical Name | 1-[ethyl(propan-2-yl)carbamoyl]piperidine-4-carboxylic acid |
| IUPAC Name | 1-[ethyl(propan-2-yl)carbamoyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C12H22N2O3/c1-4-14(9(2)3)12(17)13-7-5-10(6-8-13)11(15)16/h9-10H,4-8H2,1-3H3,(H,15,16) |
| InChI Key | WABWRQLEQOXHNQ-UHFFFAOYSA-N |
| MDL Number | MFCD11624766 |
| Molecular Formula | C12H22N2O3 |
| Molecular Weight | 242.3147 |
| SMILES | CCN(C(N1CCC(C(O)=O)CC1)=O)C(C)C |
| Synonyms | 1-[ethyl(propan-2-yl)carbamoyl]piperidine-4-carboxylic acid,
188854-52-6,
AC1Q2YNY,
CTK6E6984,
ZINC36379816,
AKOS009418710,
MCULE-6013909981,
NE50977,
EN300-51965,
1-(Ethylisopropylcarbamoyl)piperidine-4-carboxylic acid,
Z744843664,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.319g/mol |
| Monoisotopic Mass | 242.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number