2-[(4-Ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl-4-fluoropyrrolidine-2-carbonitrile

HCID 23149694

Basic information

Standard SMILES
CCOC(=O)C12CCC(NCC(=O)N3CC(F)CC3C#N)(CC1)CC2
InChIKey
AKFNKZFJBFQFAA-UHFFFAOYSA-N
Molecular formula
C18H26FN3O3
Average molar mass
351.4 g/mol

Names & identifiers

Preferred name
2-[(4-Ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl-4-fluoropyrrolidine-2-carbonitrile
IUPAC
ethyl 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylate

Names & synonyms

SCHEMBL164320AKFNKZFJBFQFAA-UHFFFAOYSA-N2-[(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl-4-fluoropyrrolidine-2-carbonitrile

Database identifiers

PubChem CID
23149694

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
82.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
25

Related reactions

13 records

Linked notes

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