Basic information
- CAS
136945-75-0- Standard SMILES
O=C(O)C1=NC=COC1- InChIKey
SYTGUXGLBXTALU-UHFFFAOYSA-N- Molecular formula
- C5H5NO3
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.02694302
Overview
Codopiloic acid is an organonitrogen heterocyclic compound and an azetidine-2-carboxylic acid.
Names & identifiers
- Preferred name
- 2H-1,4-Oxazine-3-carboxylic acid
- IUPAC
- 2H-1,4-oxazine-3-carboxylic acid
Names & synonyms
Codopiloic acid2H-1,4-Oxazine-3-carboxylic acid136945-75-0SCHEMBL23829887DTXSID60160013CHEBI:229084
Database identifiers
- CAS
136945-75-0- PubChem CID
- 178371
- DTXSID
DTXSID60160013- ChEBI
CHEBI:229084
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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