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Basic information
- Standard SMILES
CC(C(=O)O)c1ccc2c(c1)NC(=O)CO2- InChIKey
WVOXFNLLHNNXDQ-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 2-(3,4-Dihydro-3-oxo-2H-benzo[b][1,4]oxazin-6-yl)propanoic acid
- IUPAC
- 2-(3-oxo-4H-1,4-benzoxazin-6-yl)propanoic acid
Names & synonyms
SCHEMBL4134290WVOXFNLLHNNXDQ-UHFFFAOYSA-N2-(3,4-Dihydro-3-oxo-2H-benzo[b][1,4]oxazin-6-yl)propanoic acid
Database identifiers
- PubChem CID
- 57742147
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Related reactions
3 records
Compound notes
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