(2S)-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-3-methylbutanoic acid
Chemical Structure Depiction of
(2S)-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-3-methylbutanoic acid
(2S)-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-3-methylbutanoic acid
Compound characteristics
| Compound ID: | Y042-7676 |
| Compound Name: | (2S)-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-3-methylbutanoic acid |
| Molecular Weight: | 248.24 |
| Molecular Formula: | C12 H12 N2 O4 |
| Smiles: | CC(C)[C@@H](C(O)=O)N1C(c2ccncc2C1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5912 |
| logD: | -3.5364 |
| logSw: | -1.309 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.65 |
| InChI Key: | KTDYLXVLROCGRL-VIFPVBQESA-N |