Molecule ID: 135886630

IUPAC Name: (1Z)-1-[(5S)-5-[(2S)-butan-2-yl]-2,4-dioxopyrrolidin-3-ylidene]ethanolate

Description: The molecule is an organic anion that is the carbanion obtained by removal of the acidic proton from position 3 of tenuazonic acid; major speies at pH 7.3. It is a conjugate base of a tenuazonic acid.

SMILES: CC[C@H](C)[C@@H]1N=C(O)/C(=C(/C)[O-])C1=O

SELFIES: [C][C][C@H1][Branch1][C][C][C@@H1][N][=C][Branch1][C][O][/C][=Branch1][=Branch1][=C][Branch1][C][/C][O-1][C][Ring1][=Branch2][=O]

InChI: InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,12H,4H2,1-3H3,(H,11,14)/p-1/b7-6-/t5-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 2.0