1-(3-Fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
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Basic information
- Standard SMILES
COc1ccc(N2CC(C(=O)O)CC2=O)cc1F- InChIKey
HCIWVYCPZIGYEE-UHFFFAOYSA-N- Molecular formula
- C12H12FNO4
- Average molar mass
- 253.23 g/mol
- Monoisotopic mass
- 253.07503603
Names & identifiers
- Preferred name
- 1-(3-Fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Names & synonyms
SCHEMBL2858045HCIWVYCPZIGYEE-UHFFFAOYSA-N1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Database identifiers
- PubChem CID
- 43380392
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Related reactions
6 records
Compound notes
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