5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid

C18H24N2O3 — CID 22311785

IUPAC5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(OCCN3C(C)CCC3C)cc2c1C(=O)O
InChIInChI=1S/C18H24N2O3/c1-11-4-5-12(2)20(11)8-9-23-14-6-7-16-15(10-14)17(18(21)22)13(3)19-16/h6-7,10-12,19H,4-5,8-9H2,1-3H3,(H,21,22)
InChIKeyGPXTVYLJCDDPIG-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.43
Rot. Bonds5

About 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid

5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid (PubChem CID 22311785) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid
PubChem CID22311785
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(OCCN3C(C)CCC3C)cc2c1C(=O)O
InChIInChI=1S/C18H24N2O3/c1-11-4-5-12(2)20(11)8-9-23-14-6-7-16-15(10-14)17(18(21)22)13(3)19-16/h6-7,10-12,19H,4-5,8-9H2,1-3H3,(H,21,22)
InChIKeyGPXTVYLJCDDPIG-UHFFFAOYSA-N
XLogP3.43
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[2-(3-methylpyrrolidin-1-yl)ethoxy]-1H-indole-3-carboxylic acid
CID 22311946
benzyl 5-[2-[2-(cyclobutylmethyl)-5-methylpyrrolidin-1-yl]ethoxy]-2-methyl-1H-indole-3-carboxylate
CID 142169856
ethyl 2-methyl-5-(3-piperidin-1-ylpropoxy)-1H-indole-3-carboxylate
CID 127030511
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279192
5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311786
benzyl 5-(4-chlorobutoxy)-2-methyl-1H-indole-3-carboxylate
CID 23393880
5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311889
(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone
CID 69283237
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 98033002
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 951271
2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
CID 84728522

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid (CID 22311785) is 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid is Cc1[nH]c2ccc(OCCN3C(C)CCC3C)cc2c1C(=O)O.
What is the InChIKey of 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid?
The InChIKey is GPXTVYLJCDDPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11-4-5-12(2)20(11)8-9-23-14-6-7-16-15(10-14)17(18(21)22)13(3)19-16/h6-7,10-12,19H,4-5,8-9H2,1-3H3,(H,21,22).
What are the key properties of 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid?
5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 22311785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).