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

C13H21N3O4 — CID 43359928

IUPAC4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid
SMILESCCCc1noc(CCC(=O)N(C)CCCC(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-3-5-10-14-11(20-15-10)7-8-12(17)16(2)9-4-6-13(18)19/h3-9H2,1-2H3,(H,18,19)
InChIKeyGXNOEIXKSDKLQD-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.28
Rot. Bonds9

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

4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid (PubChem CID 43359928) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid
PubChem CID43359928
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid
SMILESCCCc1noc(CCC(=O)N(C)CCCC(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-3-5-10-14-11(20-15-10)7-8-12(17)16(2)9-4-6-13(18)19/h3-9H2,1-2H3,(H,18,19)
InChIKeyGXNOEIXKSDKLQD-UHFFFAOYSA-N
XLogP1.28
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid (CID 43359928) is 4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid is CCCc1noc(CCC(=O)N(C)CCCC(=O)O)n1.
What is the InChIKey of 4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid?
The InChIKey is GXNOEIXKSDKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-5-10-14-11(20-15-10)7-8-12(17)16(2)9-4-6-13(18)19/h3-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid?
4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 43359928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).