1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid

C13H15NO4 — CID 102711072

IUPAC1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
SMILESCOCCCN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C13H15NO4/c1-18-6-2-5-14-11-4-3-9(13(16)17)7-10(11)8-12(14)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyKJSINQMECWIHBX-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.31
Rot. Bonds5

About 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid

1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 102711072) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
PubChem CID102711072
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
SMILESCOCCCN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C13H15NO4/c1-18-6-2-5-14-11-4-3-9(13(16)17)7-10(11)8-12(14)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyKJSINQMECWIHBX-UHFFFAOYSA-N
XLogP1.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)-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

Related Compounds

2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
CID 102711222
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711328
1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711203
2-(3-methoxypropyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163455
1-(2-methylprop-2-enyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711163
1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711155
1-hexyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711273
1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
CID 84758277
3-[3-(3-methoxypropyl)-2,4-dioxoimidazolidin-1-yl]benzoic acid
CID 80725792
1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711326
1-(4-cyanobutyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711347
4-[(5-acetyl-2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 84758253

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid (CID 102711072) is 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid is COCCCN1C(=O)Cc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is KJSINQMECWIHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-18-6-2-5-14-11-4-3-9(13(16)17)7-10(11)8-12(14)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid?
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 102711072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).