3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid

C10H15N3O4 — CID 43360891

IUPAC3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCc1noc(CCC(=O)NC(C)CC(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-6(5-10(15)16)11-8(14)3-4-9-12-7(2)13-17-9/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyQMKIMOUJYYQDBC-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.29
Rot. Bonds6

About 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid

3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (PubChem CID 43360891) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
PubChem CID43360891
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCc1noc(CCC(=O)NC(C)CC(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-6(5-10(15)16)11-8(14)3-4-9-12-7(2)13-17-9/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyQMKIMOUJYYQDBC-UHFFFAOYSA-N
XLogP0.29
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The IUPAC name of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (CID 43360891) is 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The canonical SMILES for 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is Cc1noc(CCC(=O)NC(C)CC(=O)O)n1.
What is the InChIKey of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The InChIKey is QMKIMOUJYYQDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(5-10(15)16)11-8(14)3-4-9-12-7(2)13-17-9/h6H,3-5H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 43360891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).