5-ethoxy-1-ethylindole-2-carboxylic acid

C13H15NO3 — CID 69018922

IUPAC5-ethoxy-1-ethylindole-2-carboxylic acid
SMILESCCOc1ccc2c(c1)cc(C(=O)O)n2CC
InChIInChI=1S/C13H15NO3/c1-3-14-11-6-5-10(17-4-2)7-9(11)8-12(14)13(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyLLSOJKPZLGHBBD-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.76
Rot. Bonds4

About 5-ethoxy-1-ethylindole-2-carboxylic acid

5-ethoxy-1-ethylindole-2-carboxylic acid (PubChem CID 69018922) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-ethoxy-1-ethylindole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-1-ethylindole-2-carboxylic acid
PubChem CID69018922
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-ethoxy-1-ethylindole-2-carboxylic acid
SMILESCCOc1ccc2c(c1)cc(C(=O)O)n2CC
InChIInChI=1S/C13H15NO3/c1-3-14-11-6-5-10(17-4-2)7-9(11)8-12(14)13(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyLLSOJKPZLGHBBD-UHFFFAOYSA-N
XLogP2.76
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-ethylindole-2-carboxylic acid?
The IUPAC name of 5-ethoxy-1-ethylindole-2-carboxylic acid (CID 69018922) is 5-ethoxy-1-ethylindole-2-carboxylic acid.
What is the SMILES notation for 5-ethoxy-1-ethylindole-2-carboxylic acid?
The canonical SMILES for 5-ethoxy-1-ethylindole-2-carboxylic acid is CCOc1ccc2c(c1)cc(C(=O)O)n2CC.
What is the InChIKey of 5-ethoxy-1-ethylindole-2-carboxylic acid?
The InChIKey is LLSOJKPZLGHBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-14-11-6-5-10(17-4-2)7-9(11)8-12(14)13(15)16/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-ethoxy-1-ethylindole-2-carboxylic acid?
5-ethoxy-1-ethylindole-2-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-ethylindole-2-carboxylic acid is sourced from PubChem (CID 69018922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).