Basic information
- Standard SMILES
CC(=O)SCCC(=O)N1CC(O)C=C1C(=O)O- InChIKey
IHSFDXFSYRGXAU-UHFFFAOYSA-N- Molecular formula
- C10H13NO5S
- Average molar mass
- 259.28 g/mol
Names & identifiers
- Preferred name
- 1-(3-acetylthio-1-oxopropyl)-4,5-dihydro-4-hydroxy-1H-pyrrole-2-carboxylic acid
- IUPAC
- 1-(3-acetylsulfanylpropanoyl)-3-hydroxy-2,3-dihydropyrrole-5-carboxylic acid
Names & synonyms
SCHEMBL11467189IHSFDXFSYRGXAU-UHFFFAOYSA-N1-(3-acetylthio-1-oxopropyl)-4,5-dihydro-4-hydroxy-1H-pyrrole-2-carboxylic acid
Database identifiers
- PubChem CID
- 23343191
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 379
Related reactions
3 records
Compound notes
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