Basic information
- Standard SMILES
COC(=O)c1cnccc1C1=CCN(C(=O)OC(C)(C)C)CC1- InChIKey
ODXAAZGJEWFULJ-UHFFFAOYSA-N- Molecular formula
- C17H22N2O4
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- 3,6-dihydro-2H-[4,4]bipyridinyl-1,3'-dicarboxylic acid 1-t-butyl ester 3'-methyl ester
- IUPAC
- methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxylate
Names & synonyms
SCHEMBL2424071ODXAAZGJEWFULJ-UHFFFAOYSA-N3,6-Dihydro-2H-[4,4']bipyridinyl-1,3'-dicarboxylic acid 1-t-butyl ester 3'-methyl ester3,6-dihydro-2H-[4,4]bipyridinyl-1,3'-dicarboxylic acid 1-t-butyl ester 3'-methyl ester
Database identifiers
- PubChem CID
- 58442829
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
4 records
Linked notes
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