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'}

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Related Compounds

2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
CID 102711222
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
2-[2-(2-hydroxyethoxy)ethyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 82163493
1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711155
1-[2-(2-methylpropoxy)ethyl]-2-oxo-3H-indole-6-carboxylic acid
CID 106453920
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711328
1-(2-methylprop-2-enyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711163
1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711321
4-[(5-acetyl-2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 84758253
1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid
CID 117031163
1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711326
2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid
CID 102711165

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).