2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid

C14H16N2O4 — CID 169247742

IUPAC2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N1C3CCC1COC3)COC2
InChIInChI=1S/C14H16N2O4/c17-14(18)11-3-8-4-19-7-12(8)15-13(11)16-9-1-2-10(16)6-20-5-9/h3,9-10H,1-2,4-7H2,(H,17,18)
InChIKeyVNEDZZWZKAVVNC-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.18
Rot. Bonds2

About 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid

2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid (PubChem CID 169247742) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
PubChem CID169247742
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N1C3CCC1COC3)COC2
InChIInChI=1S/C14H16N2O4/c17-14(18)11-3-8-4-19-7-12(8)15-13(11)16-9-1-2-10(16)6-20-5-9/h3,9-10H,1-2,4-7H2,(H,17,18)
InChIKeyVNEDZZWZKAVVNC-UHFFFAOYSA-N
XLogP1.18
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid (CID 169247742) is 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1N1C3CCC1COC3)COC2.
What is the InChIKey of 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is VNEDZZWZKAVVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-14(18)11-3-8-4-19-7-12(8)15-13(11)16-9-1-2-10(16)6-20-5-9/h3,9-10H,1-2,4-7H2,(H,17,18).
What are the key properties of 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 169247742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).