2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid

C6H8N2O3 — CID 10844627

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid
SMILESCc1nc(C(C)C(=O)O)no1
InChIInChI=1S/C6H8N2O3/c1-3(6(9)10)5-7-4(2)11-8-5/h3H,1-2H3,(H,9,10)
InChIKeyKWARDDLKBDDTDV-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.57
Rot. Bonds2

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid

2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid (PubChem CID 10844627) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid
PubChem CID10844627
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid
SMILESCc1nc(C(C)C(=O)O)no1
InChIInChI=1S/C6H8N2O3/c1-3(6(9)10)5-7-4(2)11-8-5/h3H,1-2H3,(H,9,10)
InChIKeyKWARDDLKBDDTDV-UHFFFAOYSA-N
XLogP0.57
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid (CID 10844627) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid is Cc1nc(C(C)C(=O)O)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid?
The InChIKey is KWARDDLKBDDTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3(6(9)10)5-7-4(2)11-8-5/h3H,1-2H3,(H,9,10).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid?
2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid has a molecular weight of 156.14 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoic acid is sourced from PubChem (CID 10844627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).