Molecule ID: 81832

IUPAC Name: 2-[(2-amino-2-oxoethyl)amino]ethanesulfonic acid

Description: The molecule is a Good's buffer substance, pKa = 6.9 at 20 ℃. It is an ACES and an amino sulfonic acid. It is a tautomer of a 2-[(2-amino-2-oxoethyl)ammonio]ethanesulfonate.

SMILES: N=C(O)CNCCS(=O)(=O)O

SELFIES: [N][=C][Branch1][C][O][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -4.7