4-(octylamino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(octylamino)-4-oxobut-2-enoic acid
4-(octylamino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K781-5530 |
| Compound Name: | 4-(octylamino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 227.3 |
| Molecular Formula: | C12 H21 N O3 |
| Smiles: | CCCCCCCCNC(/C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2009 |
| logD: | -0.8443 |
| logSw: | -2.953 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.207 |
| InChI Key: | PTDZPBBGCHHKCY-UHFFFAOYSA-N |