2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid

C15H19NO3 — CID 82278453

IUPAC2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
SMILESCCOc1ccc2[nH]c(C)c(C(C)(C)C(=O)O)c2c1
InChIInChI=1S/C15H19NO3/c1-5-19-10-6-7-12-11(8-10)13(9(2)16-12)15(3,4)14(17)18/h6-8,16H,5H2,1-4H3,(H,17,18)
InChIKeyIHCYZGKQAJVURQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.24
Rot. Bonds4

About 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid

2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid (PubChem CID 82278453) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
PubChem CID82278453
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
SMILESCCOc1ccc2[nH]c(C)c(C(C)(C)C(=O)O)c2c1
InChIInChI=1S/C15H19NO3/c1-5-19-10-6-7-12-11(8-10)13(9(2)16-12)15(3,4)14(17)18/h6-8,16H,5H2,1-4H3,(H,17,18)
InChIKeyIHCYZGKQAJVURQ-UHFFFAOYSA-N
XLogP3.24
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-ethoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid
CID 84642175
2-(5-bromo-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82502343
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279192
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 98033002
2,7-diethoxy-10H-acridin-9-one
CID 163923657
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde
CID 12594754
5-ethoxy-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole-3-carboxylic acid
CID 174788683
3-[[benzyl(methyl)amino]methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
CID 696542
N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 98033031
2-[2-(3,4-diethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid
CID 3921291
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid (CID 82278453) is 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid is CCOc1ccc2[nH]c(C)c(C(C)(C)C(=O)O)c2c1.
What is the InChIKey of 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid?
The InChIKey is IHCYZGKQAJVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-19-10-6-7-12-11(8-10)13(9(2)16-12)15(3,4)14(17)18/h6-8,16H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid?
2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82278453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).