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

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Related Compounds

(5R)-3-((6-(1-cyclohexylethoxy)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591712
US10030012, Example 52
CID 78318202
Ethyl 4-[3-(4-pyridin-4-ylphenoxy)propyl]piperazine-1-carboxylate
CID 44335222
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-(2-pyridyloxymethyl)oxazolidin-2-one
CID 497363
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(4-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one
CID 497370
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(3-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one
CID 497371
6-((1-Acetylpiperidin-4-yl)oxy)nicotinonitrile
CID 71799078
US10030012, Example 53
CID 78318203
US10030012, Example 55
CID 78318205
US10030012, Example 85
CID 78318451
US10030012, Example 86
CID 78318452
US10030012, Example 34
CID 78318996

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).