3,6-dihydro-2H-[4,4]bipyridinyl-1,3'-dicarboxylic acid 1-t-butyl ester 3'-methyl ester

HCID 58442829

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

Related reactions

4 records

Linked notes

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