Molecule ID: mol31414

SMILES: N[C@@H](CCC(=O)NO)C(=O)O

InChI: InChI=1S/C5H10N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.21 AttenGpKa training set 1 » 0
8.55 AttenGpKa training set 0 » -1
9.50 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization