3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid

C13H16N2O2 — CID 84726640

IUPAC3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid
SMILESCc1cccc2nn(CC(C)C(=O)O)c(C)c12
InChIInChI=1S/C13H16N2O2/c1-8-5-4-6-11-12(8)10(3)15(14-11)7-9(2)13(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)
InChIKeyVXMZKJMGYBSUOU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.37
Rot. Bonds3

About 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid

3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid (PubChem CID 84726640) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid
PubChem CID84726640
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid
SMILESCc1cccc2nn(CC(C)C(=O)O)c(C)c12
InChIInChI=1S/C13H16N2O2/c1-8-5-4-6-11-12(8)10(3)15(14-11)7-9(2)13(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)
InChIKeyVXMZKJMGYBSUOU-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic 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 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid (CID 84726640) is 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid is Cc1cccc2nn(CC(C)C(=O)O)c(C)c12.
What is the InChIKey of 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid?
The InChIKey is VXMZKJMGYBSUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-5-4-6-11-12(8)10(3)15(14-11)7-9(2)13(16)17/h4-6,9H,7H2,1-3H3,(H,16,17).
What are the key properties of 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid?
3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84726640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).