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

C6H8N2O3 — CID 82416193

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCc1nnc(C(C)C(=O)O)o1
InChIInChI=1S/C6H8N2O3/c1-3(6(9)10)5-8-7-4(2)11-5/h3H,1-2H3,(H,9,10)
InChIKeyRTOLBWZJSDFPHI-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.57
Rot. Bonds2

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

2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (PubChem CID 82416193) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
PubChem CID82416193
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCc1nnc(C(C)C(=O)O)o1
InChIInChI=1S/C6H8N2O3/c1-3(6(9)10)5-8-7-4(2)11-5/h3H,1-2H3,(H,9,10)
InChIKeyRTOLBWZJSDFPHI-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (CID 82416193) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is Cc1nnc(C(C)C(=O)O)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The InChIKey is RTOLBWZJSDFPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3(6(9)10)5-8-7-4(2)11-5/h3H,1-2H3,(H,9,10).
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
2-(5-methyl-1,3,4-oxadiazol-2-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-1,3,4-oxadiazol-2-yl)propanoic acid is sourced from PubChem (CID 82416193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).