Basic information
- Standard SMILES
COC(=O)c1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1- InChIKey
XJMDSSMTUOCTNG-UHFFFAOYSA-N- Molecular formula
- C17H22N2O4
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- 3',6'-dihydro-2'H-[3,4]bipyridinyl-2,1'-dicarboxylic acid 1'-t-butyl ester 2-methyl ester
- IUPAC
- methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
Names & synonyms
SCHEMBL2422977XJMDSSMTUOCTNG-UHFFFAOYSA-N3',6'-dihydro-2'H-[3,4']bipyridinyl-2,1'-dicarboxylic acid 1'-t-butyl ester 2-methyl ester3',6'-dihydro-2'H-[3,4]bipyridinyl-2,1'-dicarboxylic acid 1'-t-butyl ester 2-methyl ester
Database identifiers
- PubChem CID
- 58296103
Properties
Computed structural properties
- XLogP
- 2.1
- 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
1 records
Compound notes
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