4-oxo-4-[(2-phenylethyl)amino]but-2-enoic acid
Chemical Structure Depiction of
4-oxo-4-[(2-phenylethyl)amino]but-2-enoic acid
4-oxo-4-[(2-phenylethyl)amino]but-2-enoic acid
Compound characteristics
| Compound ID: | K781-5534 |
| Compound Name: | 4-oxo-4-[(2-phenylethyl)amino]but-2-enoic acid |
| Molecular Weight: | 219.24 |
| Molecular Formula: | C12 H13 N O3 |
| Smiles: | C(CNC(/C=C/C(O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4052 |
| logD: | -2.64 |
| logSw: | -1.5105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.935 |
| InChI Key: | IREPTAJLMFBTRP-UHFFFAOYSA-N |