Molecule ID: mol20907
SMILES: N[C@H](CCC(=O)O)C(=O)O
InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.19 | Baltruschat ChEMBL | 1 » 0 |
| 4.25 | Baltruschat ChEMBL | 0 » -1 |