Molecule ID: mol5408

SMILES: NC(=O)C(N)CCC(=O)O

InChI: InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.01 Datawarrior 1 » 0
3.01 OCHEM 1 » 0
3.81 IUPAC digitized pKa 1 » 0
7.88 IUPAC digitized pKa 0 » -1
7.88 IUPAC digitized pKa 0 » -1
8.27 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization