Basic information
- Standard SMILES
O=C1COc2ccc(N3CC(C(=O)O)CC3=O)cc2N1- InChIKey
YWWUIPATNVSCGA-UHFFFAOYSA-N- Molecular formula
- C13H12N2O5
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.07462149
Names & identifiers
- Preferred name
- 5-Oxo-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyrrolidin-3-carboxylic acid
- IUPAC
- 5-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxylic acid
Names & synonyms
SCHEMBL15853496YWWUIPATNVSCGA-UHFFFAOYSA-N5-Oxo-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyrrolidin-3-carboxylic acid
Database identifiers
- PubChem CID
- 86724924
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
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