Molecule ID: 5191579

IUPAC Name: 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group. It has a role as an algal metabolite. It is a conjugate base of a pantothenic acid.

SMILES: CC(C)(CO)C(O)C(O)=NCCC(=O)[O-]

SELFIES: [C][C][Branch1][C][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][=N][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: -0.4