2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid

C14H17NO3 — CID 117197219

IUPAC2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid
SMILESCCn1c(C(C)(C)C(=O)O)cc2cccc(O)c21
InChIInChI=1S/C14H17NO3/c1-4-15-11(14(2,3)13(17)18)8-9-6-5-7-10(16)12(9)15/h5-8,16H,4H2,1-3H3,(H,17,18)
InChIKeyZEAXBRFRQUMCRS-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.73
Rot. Bonds3

About 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid

2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid (PubChem CID 117197219) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid
PubChem CID117197219
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid
SMILESCCn1c(C(C)(C)C(=O)O)cc2cccc(O)c21
InChIInChI=1S/C14H17NO3/c1-4-15-11(14(2,3)13(17)18)8-9-6-5-7-10(16)12(9)15/h5-8,16H,4H2,1-3H3,(H,17,18)
InChIKeyZEAXBRFRQUMCRS-UHFFFAOYSA-N
XLogP2.73
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid (CID 117197219) is 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid is CCn1c(C(C)(C)C(=O)O)cc2cccc(O)c21.
What is the InChIKey of 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid?
The InChIKey is ZEAXBRFRQUMCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-15-11(14(2,3)13(17)18)8-9-6-5-7-10(16)12(9)15/h5-8,16H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid?
2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117197219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).