3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid

C13H16N2O2 — CID 84726656

IUPAC3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid
SMILESCc1c2ccc(CC(C)C(=O)O)cc2nn1C
InChIInChI=1S/C13H16N2O2/c1-8(13(16)17)6-10-4-5-11-9(2)15(3)14-12(11)7-10/h4-5,7-8H,6H2,1-3H3,(H,16,17)
InChIKeyYGTKRHYJGXWNAQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.14
Rot. Bonds3

About 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid

3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid (PubChem CID 84726656) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid
PubChem CID84726656
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid
SMILESCc1c2ccc(CC(C)C(=O)O)cc2nn1C
InChIInChI=1S/C13H16N2O2/c1-8(13(16)17)6-10-4-5-11-9(2)15(3)14-12(11)7-10/h4-5,7-8H,6H2,1-3H3,(H,16,17)
InChIKeyYGTKRHYJGXWNAQ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(1,2,3-trimethylindol-6-yl)propanoic acid
CID 117365476
3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid
CID 84730662
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(2-tert-butyl-1-methylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 117438712
2-methyl-3-[4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]propanoic acid
CID 120541424
3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
2-methyl-3-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]propanoic acid
CID 82514550
2-methyl-3-(1-methyl-3-oxo-2H-indazol-5-yl)propanoic acid
CID 105494198
3-(4-ethylisoquinolin-7-yl)-2-methylpropanoic acid
CID 117360196

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid (CID 84726656) is 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid is Cc1c2ccc(CC(C)C(=O)O)cc2nn1C.
What is the InChIKey of 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid?
The InChIKey is YGTKRHYJGXWNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(13(16)17)6-10-4-5-11-9(2)15(3)14-12(11)7-10/h4-5,7-8H,6H2,1-3H3,(H,16,17).
What are the key properties of 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid?
3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84726656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).