4-{[5-(2-carboxyethenyl)-2-methylbenzene-1-sulfonyl]amino}butanoic acid
Chemical Structure Depiction of
4-{[5-(2-carboxyethenyl)-2-methylbenzene-1-sulfonyl]amino}butanoic acid
4-{[5-(2-carboxyethenyl)-2-methylbenzene-1-sulfonyl]amino}butanoic acid
Compound characteristics
| Compound ID: | 3347-3595 |
| Compound Name: | 4-{[5-(2-carboxyethenyl)-2-methylbenzene-1-sulfonyl]amino}butanoic acid |
| Molecular Weight: | 327.35 |
| Molecular Formula: | C14 H17 N O6 S |
| Smiles: | Cc1ccc(/C=C/C(O)=O)cc1S(NCCCC(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4764 |
| logD: | -1.7142 |
| logSw: | -2.1251 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.878 |
| InChI Key: | YADYWZNEFPLEOO-VOTSOKGWSA-N |