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

C10H15N3O4 — CID 43355071

IUPAC4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCc1noc(CCC(=O)NCCCC(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-7-12-9(17-13-7)5-4-8(14)11-6-2-3-10(15)16/h2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyGHOAWGCSLKKKDG-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.29
Rot. Bonds7

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

4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (PubChem CID 43355071) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
PubChem CID43355071
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCc1noc(CCC(=O)NCCCC(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-7-12-9(17-13-7)5-4-8(14)11-6-2-3-10(15)16/h2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyGHOAWGCSLKKKDG-UHFFFAOYSA-N
XLogP0.29
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The IUPAC name of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (CID 43355071) is 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The canonical SMILES for 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is Cc1noc(CCC(=O)NCCCC(=O)O)n1.
What is the InChIKey of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The InChIKey is GHOAWGCSLKKKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7-12-9(17-13-7)5-4-8(14)11-6-2-3-10(15)16/h2-6H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
4-[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, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 43355071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).