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

C9H14N2O3 — CID 82125911

IUPAC2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCC(Cc1nnc(C(C)C)o1)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-5(2)8-11-10-7(14-8)4-6(3)9(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyCLFGGFBHQBHUCU-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.46
Rot. Bonds4

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

2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid (PubChem CID 82125911) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid
PubChem CID82125911
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCC(Cc1nnc(C(C)C)o1)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-5(2)8-11-10-7(14-8)4-6(3)9(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyCLFGGFBHQBHUCU-UHFFFAOYSA-N
XLogP1.46
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(5-propan-2-yl-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-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid (CID 82125911) is 2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid is CC(Cc1nnc(C(C)C)o1)C(=O)O.
What is the InChIKey of 2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid?
The InChIKey is CLFGGFBHQBHUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)8-11-10-7(14-8)4-6(3)9(12)13/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid?
2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid is sourced from PubChem (CID 82125911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).