Molecular Identity
Itaconic acid
2-methylidenebutanedioic acid
PubChem CID: 811
Itaconic acid is a dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group. It has a role as a fungal metabolite and a human metabolite. It is a dicarboxylic fatty acid, a dicarboxylic acid and an olefinic compound. It is functionally related to a succinic acid. It is a conjugate acid of an itaconate(2-).
2D Structure
Properties
C5H6O4
Molecular Formula
130.10
Molecular Weight
g/mol
130.0266
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
74.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
158
Complexity
SMILES
Canonical SMILES
SMILES: C=C(CC(=O)O)C(=O)OIsomeric SMILES
SMILES: C=C(CC(=O)O)C(=O)OSynonyms(20)
Itaconic acid97-65-42-Methylenesuccinic acid2-methylidenebutanedioic acidMETHYLENESUCCINIC ACIDMethylenebutanedioic acidPropylenedicarboxylic aciditaconateButanedioic acid, methylene-2-Propene-1,2-dicarboxylic acidSuccinic acid, methylene-2-methylenebutanedioic acidDTXSID2026608NSC-3357Q4516562YH
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Itaconic acid
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