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

C11H19N3O3 — CID 29078260

IUPAC3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCCN(CC)CCc1noc(CCC(=O)O)n1
InChIInChI=1S/C11H19N3O3/c1-3-14(4-2)8-7-9-12-10(17-13-9)5-6-11(15)16/h3-8H2,1-2H3,(H,15,16)
InChIKeyVIILIUAJDLFFGO-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.97
Rot. Bonds8

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

3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid (PubChem CID 29078260) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid
PubChem CID29078260
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid
SMILESCCN(CC)CCc1noc(CCC(=O)O)n1
InChIInChI=1S/C11H19N3O3/c1-3-14(4-2)8-7-9-12-10(17-13-9)5-6-11(15)16/h3-8H2,1-2H3,(H,15,16)
InChIKeyVIILIUAJDLFFGO-UHFFFAOYSA-N
XLogP0.97
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid (CID 29078260) is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid is CCN(CC)CCc1noc(CCC(=O)O)n1.
What is the InChIKey of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid?
The InChIKey is VIILIUAJDLFFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-14(4-2)8-7-9-12-10(17-13-9)5-6-11(15)16/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid?
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid is sourced from PubChem (CID 29078260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).