4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid

C12H14N2O3 — CID 66371853

IUPAC4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CC3CCC(C2)O3)ccn1
InChIInChI=1S/C12H14N2O3/c15-12(16)11-5-8(3-4-13-11)14-6-9-1-2-10(7-14)17-9/h3-5,9-10H,1-2,6-7H2,(H,15,16)
InChIKeyJOLDGZCJJMHQIS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.15
Rot. Bonds2

About 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid

4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid (PubChem CID 66371853) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid
PubChem CID66371853
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CC3CCC(C2)O3)ccn1
InChIInChI=1S/C12H14N2O3/c15-12(16)11-5-8(3-4-13-11)14-6-9-1-2-10(7-14)17-9/h3-5,9-10H,1-2,6-7H2,(H,15,16)
InChIKeyJOLDGZCJJMHQIS-UHFFFAOYSA-N
XLogP1.15
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid (CID 66371853) is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid is O=C(O)c1cc(N2CC3CCC(C2)O3)ccn1.
What is the InChIKey of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid?
The InChIKey is JOLDGZCJJMHQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-12(16)11-5-8(3-4-13-11)14-6-9-1-2-10(7-14)17-9/h3-5,9-10H,1-2,6-7H2,(H,15,16).
What are the key properties of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid?
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 66371853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).