Basic information
- Standard SMILES
COC(=O)CC(=O)C=C(N)c1cc(OC)ccc1F- InChIKey
QTPAOAVYDXEWRS-UHFFFAOYSA-N- Molecular formula
- C13H14FNO4
- Average molar mass
- 267.25 g/mol
- Monoisotopic mass
- 267.09068609
Names & identifiers
- Preferred name
- Methyl 5-amino-3-oxo-5-(2-fluoro-5-methoxyphenyl)-pent-4-enoate
- IUPAC
- methyl 5-amino-5-(2-fluoro-5-methoxyphenyl)-3-oxopent-4-enoate
Names & synonyms
SCHEMBL7349784QTPAOAVYDXEWRS-UHFFFAOYSA-Nmethyl 5-amino-3-oxo-5-(2-fluoro-5-methoxyphenyl)-pent-4-enoate
Database identifiers
- PubChem CID
- 70062292
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
2 records
Compound notes
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