4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid

C9H15N3O3 — CID 106395904

IUPAC4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid
SMILESCC(CCC(=O)O)NCCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-7(2-3-9(13)14)10-5-4-8-11-6-15-12-8/h6-7,10H,2-5H2,1H3,(H,13,14)
InChIKeyXQRUQXNGJMRAGG-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.46
Rot. Bonds7

About 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid

4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid (PubChem CID 106395904) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid
PubChem CID106395904
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid
SMILESCC(CCC(=O)O)NCCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-7(2-3-9(13)14)10-5-4-8-11-6-15-12-8/h6-7,10H,2-5H2,1H3,(H,13,14)
InChIKeyXQRUQXNGJMRAGG-UHFFFAOYSA-N
XLogP0.46
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid?
The IUPAC name of 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid (CID 106395904) is 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid?
The canonical SMILES for 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid is CC(CCC(=O)O)NCCc1ncon1.
What is the InChIKey of 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid?
The InChIKey is XQRUQXNGJMRAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-7(2-3-9(13)14)10-5-4-8-11-6-15-12-8/h6-7,10H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid?
4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid has a molecular weight of 213.24 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 106395904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).