7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid

C16H19NO3 — CID 67255798

IUPAC7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid
SMILESCOCCn1cc(C(=O)O)c2cccc(C3CCC3)c21
InChIInChI=1S/C16H19NO3/c1-20-9-8-17-10-14(16(18)19)13-7-3-6-12(15(13)17)11-4-2-5-11/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,19)
InChIKeyUWLWBISUXORFLI-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.25
Rot. Bonds5

About 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid

7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid (PubChem CID 67255798) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid
PubChem CID67255798
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid
SMILESCOCCn1cc(C(=O)O)c2cccc(C3CCC3)c21
InChIInChI=1S/C16H19NO3/c1-20-9-8-17-10-14(16(18)19)13-7-3-6-12(15(13)17)11-4-2-5-11/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,19)
InChIKeyUWLWBISUXORFLI-UHFFFAOYSA-N
XLogP3.25
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid?
The IUPAC name of 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid (CID 67255798) is 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid.
What is the SMILES notation for 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid?
The canonical SMILES for 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid is COCCn1cc(C(=O)O)c2cccc(C3CCC3)c21.
What is the InChIKey of 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid?
The InChIKey is UWLWBISUXORFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-9-8-17-10-14(16(18)19)13-7-3-6-12(15(13)17)11-4-2-5-11/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid?
7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid is sourced from PubChem (CID 67255798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).