5-(3-methylbutanamido)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(3-methylbutanamido)benzene-1,3-dicarboxylic acid
5-(3-methylbutanamido)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 8009-7469 |
| Compound Name: | 5-(3-methylbutanamido)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 265.26 |
| Molecular Formula: | C13 H15 N O5 |
| Smiles: | CC(C)CC(Nc1cc(cc(c1)C(O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0031 |
| logD: | -0.3603 |
| logSw: | -3.0912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.204 |
| InChI Key: | VQCLDAPPPUUUQC-UHFFFAOYSA-N |