1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid

C13H15NO5 — CID 102711203

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(=O)N2CCOCCO
InChIInChI=1S/C13H15NO5/c15-4-6-19-5-3-14-11-2-1-9(13(17)18)7-10(11)8-12(14)16/h1-2,7,15H,3-6,8H2,(H,17,18)
InChIKeyJZDASAFOMWEXGZ-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.28
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid

1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 102711203) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid
PubChem CID102711203
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(=O)N2CCOCCO
InChIInChI=1S/C13H15NO5/c15-4-6-19-5-3-14-11-2-1-9(13(17)18)7-10(11)8-12(14)16/h1-2,7,15H,3-6,8H2,(H,17,18)
InChIKeyJZDASAFOMWEXGZ-UHFFFAOYSA-N
XLogP0.28
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid (CID 102711203) is 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CC(=O)N2CCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is JZDASAFOMWEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-4-6-19-5-3-14-11-2-1-9(13(17)18)7-10(11)8-12(14)16/h1-2,7,15H,3-6,8H2,(H,17,18).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid?
1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 102711203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).