2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid

C13H19N3O2 — CID 114080464

IUPAC2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid
SMILESCc1nccnc1C(C)(C(=O)O)N1CCCCC1
InChIInChI=1S/C13H19N3O2/c1-10-11(15-7-6-14-10)13(2,12(17)18)16-8-4-3-5-9-16/h6-7H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyZMPAHTLKQPPLJJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds3

About 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid

2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid (PubChem CID 114080464) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid
PubChem CID114080464
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid
SMILESCc1nccnc1C(C)(C(=O)O)N1CCCCC1
InChIInChI=1S/C13H19N3O2/c1-10-11(15-7-6-14-10)13(2,12(17)18)16-8-4-3-5-9-16/h6-7H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyZMPAHTLKQPPLJJ-UHFFFAOYSA-N
XLogP1.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid?
The IUPAC name of 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid (CID 114080464) is 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid?
The canonical SMILES for 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid is Cc1nccnc1C(C)(C(=O)O)N1CCCCC1.
What is the InChIKey of 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid?
The InChIKey is ZMPAHTLKQPPLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-11(15-7-6-14-10)13(2,12(17)18)16-8-4-3-5-9-16/h6-7H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid?
2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazin-2-yl)-2-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 114080464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).