3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid

C13H19N3O2 — CID 83064668

IUPAC3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid
SMILESCc1nccnc1N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-10-13(15-7-6-14-10)16-8-2-3-11(9-16)4-5-12(17)18/h6-7,11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyCIVGRUJKQHWZSA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.87
Rot. Bonds4

About 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid

3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid (PubChem CID 83064668) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid
PubChem CID83064668
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid
SMILESCc1nccnc1N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-10-13(15-7-6-14-10)16-8-2-3-11(9-16)4-5-12(17)18/h6-7,11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyCIVGRUJKQHWZSA-UHFFFAOYSA-N
XLogP1.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid (CID 83064668) is 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid is Cc1nccnc1N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid?
The InChIKey is CIVGRUJKQHWZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-13(15-7-6-14-10)16-8-2-3-11(9-16)4-5-12(17)18/h6-7,11H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid?
3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83064668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).