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

C11H17N5O4 — CID 106403029

IUPAC2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)NCc2ncon2)CC1
InChIInChI=1S/C11H17N5O4/c1-8(10(17)18)15-2-4-16(5-3-15)11(19)12-6-9-13-7-20-14-9/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18)
InChIKeyDYQUUTRXADNLDS-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.63
Rot. Bonds4

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

2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid (PubChem CID 106403029) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
PubChem CID106403029
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)NCc2ncon2)CC1
InChIInChI=1S/C11H17N5O4/c1-8(10(17)18)15-2-4-16(5-3-15)11(19)12-6-9-13-7-20-14-9/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18)
InChIKeyDYQUUTRXADNLDS-UHFFFAOYSA-N
XLogP-0.63
TPSA111.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid (CID 106403029) is 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)NCc2ncon2)CC1.
What is the InChIKey of 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid?
The InChIKey is DYQUUTRXADNLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-8(10(17)18)15-2-4-16(5-3-15)11(19)12-6-9-13-7-20-14-9/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18).
What are the key properties of 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid?
2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid has a molecular weight of 283.29 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 106403029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).