2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid

C14H17NO2 — CID 150592049

IUPAC2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid
SMILESCCc1[nH]c2ccccc2c1C(C)(C)C(=O)O
InChIInChI=1S/C14H17NO2/c1-4-10-12(14(2,3)13(16)17)9-7-5-6-8-11(9)15-10/h5-8,15H,4H2,1-3H3,(H,16,17)
InChIKeyIQBRHJZKEPOELI-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.09
Rot. Bonds3

About 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid

2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid (PubChem CID 150592049) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid
PubChem CID150592049
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid
SMILESCCc1[nH]c2ccccc2c1C(C)(C)C(=O)O
InChIInChI=1S/C14H17NO2/c1-4-10-12(14(2,3)13(16)17)9-7-5-6-8-11(9)15-10/h5-8,15H,4H2,1-3H3,(H,16,17)
InChIKeyIQBRHJZKEPOELI-UHFFFAOYSA-N
XLogP3.09
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-(trifluoromethyl)-1H-indole
CID 147285687
ethyl 2-(2-ethyl-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 135003503
2,3-diethyl-1H-indole;hydrate
CID 70606554
9H-carbazole;propanoic acid
CID 68841226
3-amino-3-(2-methyl-1H-indol-3-yl)butanoic acid
CID 82289641
2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278453
9H-carbazole;carbonic acid
CID 67577328
N-butyl-2-methyl-2-(2-methyl-1H-indol-3-yl)propanamide
CID 113211513
2-hydroxy-N,N-dimethyl-2-phenyl-2-(2-phenyl-1H-indol-3-yl)acetamide
CID 118908965
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
2-methyl-2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 113211551
2-benzyl-3-ethyl-1H-indole
CID 13115106

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid (CID 150592049) is 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid is CCc1[nH]c2ccccc2c1C(C)(C)C(=O)O.
What is the InChIKey of 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid?
The InChIKey is IQBRHJZKEPOELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-10-12(14(2,3)13(16)17)9-7-5-6-8-11(9)15-10/h5-8,15H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid?
2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 150592049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).