2-[[[(2-Methoxy-3-pyridinyl)methyl]amino]carbonyl]cyclohexanecarboxylic acid
Basic information
- CAS
1178066-90-4- Standard SMILES
COc1ncccc1CNC(=O)C1CCCCC1C(=O)O- InChIKey
MXXPDURPJBWBSL-UHFFFAOYSA-N- Molecular formula
- C15H20N2O4
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.14230712
Names & identifiers
- Preferred name
- 2-[[[(2-Methoxy-3-pyridinyl)methyl]amino]carbonyl]cyclohexanecarboxylic acid
- IUPAC
- 2-[(2-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
Names & synonyms
DTXSID8011413382-{[(2-Methoxypyridin-3-yl)methyl]carbamoyl}cyclohexane-1-carboxylic acid2-[[[(2-Methoxy-3-pyridinyl)methyl]amino]carbonyl]cyclohexanecarboxylic acid1178066-90-4
Database identifiers
- CAS
1178066-90-4- PubChem CID
- 60859797
- DTXSID
DTXSID801141338
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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