3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid

C10H16N4O3 — CID 43522479

IUPAC3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(Cc2ncon2)CC1
InChIInChI=1S/C10H16N4O3/c15-10(16)1-2-13-3-5-14(6-4-13)7-9-11-8-17-12-9/h8H,1-7H2,(H,15,16)
InChIKeyHGBKARVSLLZRON-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.34
Rot. Bonds5

About 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid

3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid (PubChem CID 43522479) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
PubChem CID43522479
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(Cc2ncon2)CC1
InChIInChI=1S/C10H16N4O3/c15-10(16)1-2-13-3-5-14(6-4-13)7-9-11-8-17-12-9/h8H,1-7H2,(H,15,16)
InChIKeyHGBKARVSLLZRON-UHFFFAOYSA-N
XLogP-0.34
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid (CID 43522479) is 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(Cc2ncon2)CC1.
What is the InChIKey of 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid?
The InChIKey is HGBKARVSLLZRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-10(16)1-2-13-3-5-14(6-4-13)7-9-11-8-17-12-9/h8H,1-7H2,(H,15,16).
What are the key properties of 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid?
3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).