3-(5-methylpyrazin-2-yl)propanoic acid

C8H10N2O2 — CID 82414330

IUPAC3-(5-methylpyrazin-2-yl)propanoic acid
SMILESCc1cnc(CCC(=O)O)cn1
InChIInChI=1S/C8H10N2O2/c1-6-4-10-7(5-9-6)2-3-8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyNMEZKFXVUBHGOU-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.80
Rot. Bonds3

About 3-(5-methylpyrazin-2-yl)propanoic acid

3-(5-methylpyrazin-2-yl)propanoic acid (PubChem CID 82414330) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(5-methylpyrazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methylpyrazin-2-yl)propanoic acid
PubChem CID82414330
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-(5-methylpyrazin-2-yl)propanoic acid
SMILESCc1cnc(CCC(=O)O)cn1
InChIInChI=1S/C8H10N2O2/c1-6-4-10-7(5-9-6)2-3-8(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyNMEZKFXVUBHGOU-UHFFFAOYSA-N
XLogP0.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazin-2-yl)propanoic acid?
The IUPAC name of 3-(5-methylpyrazin-2-yl)propanoic acid (CID 82414330) is 3-(5-methylpyrazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-methylpyrazin-2-yl)propanoic acid?
The canonical SMILES for 3-(5-methylpyrazin-2-yl)propanoic acid is Cc1cnc(CCC(=O)O)cn1.
What is the InChIKey of 3-(5-methylpyrazin-2-yl)propanoic acid?
The InChIKey is NMEZKFXVUBHGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-4-10-7(5-9-6)2-3-8(11)12/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(5-methylpyrazin-2-yl)propanoic acid?
3-(5-methylpyrazin-2-yl)propanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazin-2-yl)propanoic acid is sourced from PubChem (CID 82414330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).