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

C10H16N4O3 — CID 55057689

IUPAC2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(Cc2ncon2)CC1
InChIInChI=1S/C10H16N4O3/c1-8(10(15)16)14-4-2-13(3-5-14)6-9-11-7-17-12-9/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyJSWKXOMVTWODCC-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.34
Rot. Bonds4

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

2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid (PubChem CID 55057689) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
PubChem CID55057689
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(Cc2ncon2)CC1
InChIInChI=1S/C10H16N4O3/c1-8(10(15)16)14-4-2-13(3-5-14)6-9-11-7-17-12-9/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyJSWKXOMVTWODCC-UHFFFAOYSA-N
XLogP-0.34
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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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Related Compounds

1-(1,2,4-Oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
CID 43441002
2-[Methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 43442236
2-(1,2,4-Oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
2-[4-(1,2,4-Oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid
CID 43521948
3-[4-(1,2,4-Oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 43522479
2-[4-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoic acid
CID 55057930
2-[Butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 60833259
2-[Cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 60834186
2-[1,2,4-Oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid
CID 60839968
3-[1,2,4-Oxadiazol-3-ylmethyl(propan-2-yl)amino]propanoic acid
CID 60840191
2-[1,2,4-Oxadiazol-3-ylmethyl(propyl)amino]acetic acid
CID 61007246
2-[Ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 61011749

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid (CID 55057689) is 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(Cc2ncon2)CC1.
What is the InChIKey of 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid?
The InChIKey is JSWKXOMVTWODCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-8(10(15)16)14-4-2-13(3-5-14)6-9-11-7-17-12-9/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid?
2-[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, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 55057689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).