Basic information
- Standard SMILES
C=CC[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)OC- InChIKey
AVQGVKMWEAEAKV-JTQLQIEISA-N- Molecular formula
- C13H13Cl2NO3
- Average molar mass
- 302.15 g/mol
- Monoisotopic mass
- 301.0272487
Names & identifiers
- Preferred name
- (S)-2-(2,6-dichlorobenzamido)pent-4-enoic acid methyl ester
- IUPAC
- methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]pent-4-enoate
Names & synonyms
SCHEMBL1121188AVQGVKMWEAEAKV-JTQLQIEISA-N(S)-2-(2,6-dichlorobenzamido)pent-4-enoic acid methyl ester
Database identifiers
- PubChem CID
- 57762562
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
16 records
Compound notes
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