2-(5-methylpyrazin-2-yl)butanoic acid

C9H12N2O2 — CID 82409079

IUPAC2-(5-methylpyrazin-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1cnc(C)cn1
InChIInChI=1S/C9H12N2O2/c1-3-7(9(12)13)8-5-10-6(2)4-11-8/h4-5,7H,3H2,1-2H3,(H,12,13)
InChIKeyDUVGZPKLEUGDFO-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.36
Rot. Bonds3

About 2-(5-methylpyrazin-2-yl)butanoic acid

2-(5-methylpyrazin-2-yl)butanoic acid (PubChem CID 82409079) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(5-methylpyrazin-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(5-methylpyrazin-2-yl)butanoic acid
PubChem CID82409079
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(5-methylpyrazin-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1cnc(C)cn1
InChIInChI=1S/C9H12N2O2/c1-3-7(9(12)13)8-5-10-6(2)4-11-8/h4-5,7H,3H2,1-2H3,(H,12,13)
InChIKeyDUVGZPKLEUGDFO-UHFFFAOYSA-N
XLogP1.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazin-2-yl)butanoic acid?
The IUPAC name of 2-(5-methylpyrazin-2-yl)butanoic acid (CID 82409079) is 2-(5-methylpyrazin-2-yl)butanoic acid.
What is the SMILES notation for 2-(5-methylpyrazin-2-yl)butanoic acid?
The canonical SMILES for 2-(5-methylpyrazin-2-yl)butanoic acid is CCC(C(=O)O)c1cnc(C)cn1.
What is the InChIKey of 2-(5-methylpyrazin-2-yl)butanoic acid?
The InChIKey is DUVGZPKLEUGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-7(9(12)13)8-5-10-6(2)4-11-8/h4-5,7H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-methylpyrazin-2-yl)butanoic acid?
2-(5-methylpyrazin-2-yl)butanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazin-2-yl)butanoic acid is sourced from PubChem (CID 82409079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).