2-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
2-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enoic acid
2-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 0167-0100 |
| Compound Name: | 2-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enoic acid |
| Molecular Weight: | 212.25 |
| Molecular Formula: | C10 H16 N2 O3 |
| Smiles: | C/C(=C/C(N1CCN(C)CC1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4078 |
| logD: | -3.4294 |
| logSw: | 0.0065 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.516 |
| InChI Key: | ZQZLTXYFCDOSGC-UHFFFAOYSA-N |