N-(4-methylbenzene-1-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(4-methylbenzene-1-sulfonyl)-beta-alanine
N-(4-methylbenzene-1-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | R009-0037 |
| Compound Name: | N-(4-methylbenzene-1-sulfonyl)-beta-alanine |
| Molecular Weight: | 243.28 |
| Molecular Formula: | C10 H13 N O4 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0109 |
| logD: | -1.848 |
| logSw: | -2.2054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.494 |
| InChI Key: | PPDKUGSOVUQARL-UHFFFAOYSA-N |