3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C13H16N2O3 — CID 66927720

IUPAC3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C13H16N2O3/c16-13(17)15-9-4-5-10(15)8-11(7-9)18-12-3-1-2-6-14-12/h1-3,6,9-11H,4-5,7-8H2,(H,16,17)
InChIKeySZCGELKBAAKVSM-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.13
Rot. Bonds2

About 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid

3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 66927720) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID66927720
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C13H16N2O3/c16-13(17)15-9-4-5-10(15)8-11(7-9)18-12-3-1-2-6-14-12/h1-3,6,9-11H,4-5,7-8H2,(H,16,17)
InChIKeySZCGELKBAAKVSM-UHFFFAOYSA-N
XLogP2.13
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 66927720) is 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid is O=C(O)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is SZCGELKBAAKVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-13(17)15-9-4-5-10(15)8-11(7-9)18-12-3-1-2-6-14-12/h1-3,6,9-11H,4-5,7-8H2,(H,16,17).
What are the key properties of 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 66927720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).