Basic information
- CAS
1823818-00-3- Standard SMILES
COC(=O)c1nc2c([nH]1)CN(C(=O)OC(C)(C)C)CC2- InChIKey
FETLTTBHUWMBGK-UHFFFAOYSA-N- Molecular formula
- C13H19N3O4
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.1375561
Names & identifiers
- Preferred name
- 5H-Imidazo[4,5-c]pyridine-2,5-dicarboxylic acid, 3,4,6,7-tetrahydro-, 5-(1,1-dimethylethyl) 2-methyl ester
- IUPAC
- 5-O-tert-butyl 2-O-methyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-2,5-dicarboxylate
Names & synonyms
DTXSID8011102701823818-00-35H-Imidazo[4,5-c]pyridine-2,5-dicarboxylic acid, 3,4,6,7-tetrahydro-, 5-(1,1-dimethylethyl) 2-methyl ester
Database identifiers
- CAS
1823818-00-3- PubChem CID
- 165367604
- DTXSID
DTXSID801110270
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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