Basic information
- Standard SMILES
CC(Oc1ccc(F)cc1[N+](=O)[O-])C(NC(=O)OC(C)(C)C)C(=O)O- InChIKey
CEUQZAYRKYNFEO-UHFFFAOYSA-N- Molecular formula
- C15H19FN2O7
- Average molar mass
- 358.32 g/mol
- Monoisotopic mass
- 358.11762911
Names & identifiers
- Preferred name
- 3-(4-Fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- IUPAC
- 3-(4-fluoro-2-nitrophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Names & synonyms
SCHEMBL27391920
Database identifiers
- PubChem CID
- 19961682
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Related reactions
1 records
Compound notes
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