1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid

C17H22N2O3 — CID 83947820

IUPAC1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C17H22N2O3/c20-11-10-19-12-13(6-9-18-7-1-2-8-18)16-14(17(21)22)4-3-5-15(16)19/h3-5,12,20H,1-2,6-11H2,(H,21,22)
InChIKeyCJSMFEMAHOMWAI-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.97
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid

1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid (PubChem CID 83947820) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
PubChem CID83947820
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C17H22N2O3/c20-11-10-19-12-13(6-9-18-7-1-2-8-18)16-14(17(21)22)4-3-5-15(16)19/h3-5,12,20H,1-2,6-11H2,(H,21,22)
InChIKeyCJSMFEMAHOMWAI-UHFFFAOYSA-N
XLogP1.97
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-3-(2-piperazin-1-ylethyl)indole-4-carboxylic acid
CID 83947850
3-(2-piperazin-1-ylethyl)-1-propylindole-4-carboxylic acid
CID 83947830
1-butyl-3-(2-piperazin-1-ylethyl)indole-4-carboxylic acid
CID 83947841
1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946955
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008
3-(azepan-1-ylmethyl)-1-methylindole-4-carboxylic acid
CID 117171543
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946979
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 43316574
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719775
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033
1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 83947165

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid (CID 83947820) is 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid is O=C(O)c1cccc2c1c(CCN1CCCC1)cn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
The InChIKey is CJSMFEMAHOMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-11-10-19-12-13(6-9-18-7-1-2-8-18)16-14(17(21)22)4-3-5-15(16)19/h3-5,12,20H,1-2,6-11H2,(H,21,22).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid is sourced from PubChem (CID 83947820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).