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

C8H13N3O3 — CID 106396792

IUPAC2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
SMILESCCC(NCCc1ncon1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-2-6(8(12)13)9-4-3-7-10-5-14-11-7/h5-6,9H,2-4H2,1H3,(H,12,13)
InChIKeyYHNHEUIGLMFMAX-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.06
Rot. Bonds6

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

2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid (PubChem CID 106396792) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
PubChem CID106396792
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
SMILESCCC(NCCc1ncon1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-2-6(8(12)13)9-4-3-7-10-5-14-11-7/h5-6,9H,2-4H2,1H3,(H,12,13)
InChIKeyYHNHEUIGLMFMAX-UHFFFAOYSA-N
XLogP0.06
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid (CID 106396792) is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid is CCC(NCCc1ncon1)C(=O)O.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid?
The InChIKey is YHNHEUIGLMFMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-6(8(12)13)9-4-3-7-10-5-14-11-7/h5-6,9H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid?
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid is sourced from PubChem (CID 106396792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).