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

C12H14N2O3 — CID 114288777

IUPAC3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N1CC2CCC(C1)O2
InChIInChI=1S/C12H14N2O3/c15-12(16)10-3-4-13-5-11(10)14-6-8-1-2-9(7-14)17-8/h3-5,8-9H,1-2,6-7H2,(H,15,16)
InChIKeyRNUDPCOZUSSTAW-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.15
Rot. Bonds2

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

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid (PubChem CID 114288777) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid
PubChem CID114288777
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N1CC2CCC(C1)O2
InChIInChI=1S/C12H14N2O3/c15-12(16)10-3-4-13-5-11(10)14-6-8-1-2-9(7-14)17-8/h3-5,8-9H,1-2,6-7H2,(H,15,16)
InChIKeyRNUDPCOZUSSTAW-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 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid (CID 114288777) is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1N1CC2CCC(C1)O2.
What is the InChIKey of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid?
The InChIKey is RNUDPCOZUSSTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-12(16)10-3-4-13-5-11(10)14-6-8-1-2-9(7-14)17-8/h3-5,8-9H,1-2,6-7H2,(H,15,16).
What are the key properties of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid?
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-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 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114288777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).