2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid
Basic information
- CAS
57079-10-4- Standard SMILES
CSCCC(C(=O)O)N1C(=O)C=CC1=O- InChIKey
ATFCLRKMRVDLPC-UHFFFAOYSA-N- Molecular formula
- C9H11NO4S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.04087901
Names & identifiers
- Preferred name
- 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid
- IUPAC
- 2-(2,5-dioxopyrrol-1-yl)-4-methylsulfanylbutanoic acid
Names & synonyms
57079-10-42-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acidDTXSID60313042RefChem:250211DTXCID602641662-(2,5-dioxopyrrol-1-yl)-4-methylsulfanylbutanoic acid2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylthio)butanoic acidMFCD11641842N-maleoylmethionineNSC266057starbld00316972-(2,5-Dioxo-2,5-dihydro-1-pyrrolyl)-4-(methylthio)butanoic Acid
Show more names
AKOS009375255NSC-266057SY416731VS-122402-(2,5-dioxopyrrol-1-yl)-4-methylsulfanyl-butanoic acid
Database identifiers
- CAS
57079-10-4- PubChem CID
- 319937
- DTXSID
DTXSID60313042- Nikkaji
- J1.194.594E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
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Compound notes
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