3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

C11H17N3O3 — CID 22343104

IUPAC3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCN1CCC(c2noc(CCC(=O)O)n2)CC1
InChIInChI=1S/C11H17N3O3/c1-14-6-4-8(5-7-14)11-12-9(17-13-11)2-3-10(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeyUMHREJOHWAGAKB-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.90
Rot. Bonds4

About 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 22343104) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID22343104
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCN1CCC(c2noc(CCC(=O)O)n2)CC1
InChIInChI=1S/C11H17N3O3/c1-14-6-4-8(5-7-14)11-12-9(17-13-11)2-3-10(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeyUMHREJOHWAGAKB-UHFFFAOYSA-N
XLogP0.90
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid (CID 22343104) is 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is CN1CCC(c2noc(CCC(=O)O)n2)CC1.
What is the InChIKey of 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is UMHREJOHWAGAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14-6-4-8(5-7-14)11-12-9(17-13-11)2-3-10(15)16/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 22343104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).