Basic information
- CAS
6331-46-0- Standard SMILES
O=C(O)C1C2CCC(O2)C1C(=O)NCc1cccnc1- InChIKey
XDGFRUCYWYGAAJ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- 2-(Pyridin-3-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
- IUPAC
- 3-(pyridin-3-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Names & synonyms
NSC470856331-46-02-(pyridin-3-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acidNSC-47085CHEMBL1986952DTXSID10286717NCI60_0041103-(((3-pyridinylmethyl)amino)carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid3-{[(Pyridin-3-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Database identifiers
- CAS
6331-46-0- PubChem CID
- 240657
- DTXSID
DTXSID10286717- ChEMBL
CHEMBL1986952
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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