3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid

C12H20N4O3 — CID 43522478

IUPAC3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid
SMILESCCc1nnc(CN2CCN(CCC(=O)O)CC2)o1
InChIInChI=1S/C12H20N4O3/c1-2-10-13-14-11(19-10)9-16-7-5-15(6-8-16)4-3-12(17)18/h2-9H2,1H3,(H,17,18)
InChIKeyBCHPCKATSZUVCM-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.22
Rot. Bonds6

About 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid

3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid (PubChem CID 43522478) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid
PubChem CID43522478
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid
SMILESCCc1nnc(CN2CCN(CCC(=O)O)CC2)o1
InChIInChI=1S/C12H20N4O3/c1-2-10-13-14-11(19-10)9-16-7-5-15(6-8-16)4-3-12(17)18/h2-9H2,1H3,(H,17,18)
InChIKeyBCHPCKATSZUVCM-UHFFFAOYSA-N
XLogP0.22
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid (CID 43522478) is 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid is CCc1nnc(CN2CCN(CCC(=O)O)CC2)o1.
What is the InChIKey of 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
The InChIKey is BCHPCKATSZUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-10-13-14-11(19-10)9-16-7-5-15(6-8-16)4-3-12(17)18/h2-9H2,1H3,(H,17,18).
What are the key properties of 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).