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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Related Compounds

5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 168741031
1,5-diethylindole-2-carboxylic acid;ethane
CID 142207795
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid
CID 142207725
1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid
CID 2801572
5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid
CID 82089839
5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid
CID 82036474
5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175931837
1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 90027529
butyl (E)-3-(1-ethyl-5-phenylmethoxyindol-2-yl)pent-2-enoate
CID 143581896
(E)-3-(2-chloro-5-ethoxy-1-ethylindol-3-yl)prop-2-enoic acid
CID 82268930
5-phenoxy-1-prop-2-enylindole-2-carboxylic acid
CID 83968505

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).