2-[(3-methylpent-1-yn-3-yl)carbamoyl]benzoic acid
Chemical Structure Depiction of
2-[(3-methylpent-1-yn-3-yl)carbamoyl]benzoic acid
2-[(3-methylpent-1-yn-3-yl)carbamoyl]benzoic acid
Compound characteristics
| Compound ID: | 8017-1175 |
| Compound Name: | 2-[(3-methylpent-1-yn-3-yl)carbamoyl]benzoic acid |
| Molecular Weight: | 245.28 |
| Molecular Formula: | C14 H15 N O3 |
| Smiles: | CCC(C)(C#C)NC(c1ccccc1C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8985 |
| logD: | -2.1311 |
| logSw: | -2.5839 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.09 |
| InChI Key: | VZGYZZMXHDWMKP-CQSZACIVSA-N |