3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid

C11H17N3O4 — CID 43354685

IUPAC3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
SMILESCCCc1noc(CCC(=O)NCCC(=O)O)n1
InChIInChI=1S/C11H17N3O4/c1-2-3-8-13-10(18-14-8)5-4-9(15)12-7-6-11(16)17/h2-7H2,1H3,(H,12,15)(H,16,17)
InChIKeyUGXNDVVHHJKMKT-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.55
Rot. Bonds8

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

3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid (PubChem CID 43354685) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
PubChem CID43354685
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
SMILESCCCc1noc(CCC(=O)NCCC(=O)O)n1
InChIInChI=1S/C11H17N3O4/c1-2-3-8-13-10(18-14-8)5-4-9(15)12-7-6-11(16)17/h2-7H2,1H3,(H,12,15)(H,16,17)
InChIKeyUGXNDVVHHJKMKT-UHFFFAOYSA-N
XLogP0.55
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid (CID 43354685) is 3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid is CCCc1noc(CCC(=O)NCCC(=O)O)n1.
What is the InChIKey of 3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
The InChIKey is UGXNDVVHHJKMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-3-8-13-10(18-14-8)5-4-9(15)12-7-6-11(16)17/h2-7H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 43354685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).