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

C11H13N3O3 — CID 66370533

IUPAC3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CC2CCC(C1)O2
InChIInChI=1S/C11H13N3O3/c15-11(16)9-10(13-4-3-12-9)14-5-7-1-2-8(6-14)17-7/h3-4,7-8H,1-2,5-6H2,(H,15,16)
InChIKeyOJIUGZVFGIYKEJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.54
Rot. Bonds2

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

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid (PubChem CID 66370533) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid
PubChem CID66370533
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CC2CCC(C1)O2
InChIInChI=1S/C11H13N3O3/c15-11(16)9-10(13-4-3-12-9)14-5-7-1-2-8(6-14)17-7/h3-4,7-8H,1-2,5-6H2,(H,15,16)
InChIKeyOJIUGZVFGIYKEJ-UHFFFAOYSA-N
XLogP0.54
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid (CID 66370533) is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1N1CC2CCC(C1)O2.
What is the InChIKey of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid?
The InChIKey is OJIUGZVFGIYKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-11(16)9-10(13-4-3-12-9)14-5-7-1-2-8(6-14)17-7/h3-4,7-8H,1-2,5-6H2,(H,15,16).
What are the key properties of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid?
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66370533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).