5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid

C12H15N3O3 — CID 107372450

IUPAC5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2C3CCC2CC(O)C3)cn1
InChIInChI=1S/C12H15N3O3/c16-9-3-7-1-2-8(4-9)15(7)11-6-13-10(5-14-11)12(17)18/h5-9,16H,1-4H2,(H,17,18)
InChIKeyWXLZQZWPCUONNO-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.67
Rot. Bonds2

About 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid

5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid (PubChem CID 107372450) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid
PubChem CID107372450
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2C3CCC2CC(O)C3)cn1
InChIInChI=1S/C12H15N3O3/c16-9-3-7-1-2-8(4-9)15(7)11-6-13-10(5-14-11)12(17)18/h5-9,16H,1-4H2,(H,17,18)
InChIKeyWXLZQZWPCUONNO-UHFFFAOYSA-N
XLogP0.67
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[benzoyl(methyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid
CID 122054760
8-(5-fluoro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63762633
8-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 167768156
8-[2-(dimethylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 64829709
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054244
(5-hydrazinylpyrazin-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 107378293
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
CID 55237033
8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846082
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
CID 63770111
methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate
CID 66456799
5-[2-(2-hydroxycyclopentyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057879

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid (CID 107372450) is 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2C3CCC2CC(O)C3)cn1.
What is the InChIKey of 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid?
The InChIKey is WXLZQZWPCUONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-9-3-7-1-2-8(4-9)15(7)11-6-13-10(5-14-11)12(17)18/h5-9,16H,1-4H2,(H,17,18).
What are the key properties of 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid?
5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).