3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C15H20N2O3 — CID 70654436

IUPAC3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCCc1cccnc1OC1CC2CCC(C1)N2C(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-10-4-3-7-16-14(10)20-13-8-11-5-6-12(9-13)17(11)15(18)19/h3-4,7,11-13H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeySFKLQCYMUUUITR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.70
Rot. Bonds3

About 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid

3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 70654436) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID70654436
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCCc1cccnc1OC1CC2CCC(C1)N2C(=O)O
InChIInChI=1S/C15H20N2O3/c1-2-10-4-3-7-16-14(10)20-13-8-11-5-6-12(9-13)17(11)15(18)19/h3-4,7,11-13H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeySFKLQCYMUUUITR-UHFFFAOYSA-N
XLogP2.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 70654436) is 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid is CCc1cccnc1OC1CC2CCC(C1)N2C(=O)O.
What is the InChIKey of 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is SFKLQCYMUUUITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-10-4-3-7-16-14(10)20-13-8-11-5-6-12(9-13)17(11)15(18)19/h3-4,7,11-13H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 70654436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).