4-[(3-Carbamoylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Basic information
- CAS
590376-35-5- Standard SMILES
NC(=O)c1ccsc1NC(=O)C=CC(=O)O- InChIKey
INXMDZKSADHIPR-UHFFFAOYSA-N- Molecular formula
- C9H8N2O4S
- Average molar mass
- 240.24 g/mol
- Monoisotopic mass
- 240.02047791
Names & identifiers
- Preferred name
- 4-[(3-Carbamoylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
- IUPAC
- 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Names & synonyms
4-[[3-(Aminocarbonyl)-2-thienyl]amino]-4-oxo-2-butenoic acid4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobut-2-enoic acidDTXSID601184754590376-35-5
Database identifiers
- CAS
590376-35-5- PubChem CID
- 4470089
- DTXSID
DTXSID601184754
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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