2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid

C14H17NO2 — CID 117205205

IUPAC2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid
SMILESCc1cc2cccc(C(C)(C)C(=O)O)c2n1C
InChIInChI=1S/C14H17NO2/c1-9-8-10-6-5-7-11(12(10)15(9)4)14(2,3)13(16)17/h5-8H,1-4H3,(H,16,17)
InChIKeyGJCRYKGQBMZLLU-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.85
Rot. Bonds2

About 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid

2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid (PubChem CID 117205205) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid
PubChem CID117205205
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid
SMILESCc1cc2cccc(C(C)(C)C(=O)O)c2n1C
InChIInChI=1S/C14H17NO2/c1-9-8-10-6-5-7-11(12(10)15(9)4)14(2,3)13(16)17/h5-8H,1-4H3,(H,16,17)
InChIKeyGJCRYKGQBMZLLU-UHFFFAOYSA-N
XLogP2.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-2-methylindol-7-yl)-2-methylpropanoic acid
CID 117205210
2-(1,2-dimethylindol-4-yl)-2-methylpropanoic acid
CID 117204331
2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196565
2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
CID 84639153
tert-butyl N-(1,2-dimethylindol-7-yl)carbamate
CID 174933976
2-methyl-2-(2-methyl-1-benzofuran-4-yl)propanoic acid
CID 117204322
2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196564
2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196706
7-methoxy-1,2-dimethylindole
CID 82279889
(1,2-dimethylindol-7-yl) N-ethylcarbamate
CID 143750172
2-(1,2-dimethyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
CID 117202969
2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid
CID 117197219

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid (CID 117205205) is 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid is Cc1cc2cccc(C(C)(C)C(=O)O)c2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid?
The InChIKey is GJCRYKGQBMZLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-8-10-6-5-7-11(12(10)15(9)4)14(2,3)13(16)17/h5-8H,1-4H3,(H,16,17).
What are the key properties of 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid?
2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117205205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).