1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

C17H22N2O3 — CID 83947008

IUPAC1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C17H22N2O3/c20-10-9-19-12-14(5-8-18-6-1-2-7-18)15-11-13(17(21)22)3-4-16(15)19/h3-4,11-12,20H,1-2,5-10H2,(H,21,22)
InChIKeyOUGSEUZIXMIVNY-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.97
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (PubChem CID 83947008) 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-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
PubChem CID83947008
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C17H22N2O3/c20-10-9-19-12-14(5-8-18-6-1-2-7-18)15-11-13(17(21)22)3-4-16(15)19/h3-4,11-12,20H,1-2,5-10H2,(H,21,22)
InChIKeyOUGSEUZIXMIVNY-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (CID 83947008) is 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is O=C(O)c1ccc2c(c1)c(CCN1CCCC1)cn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The InChIKey is OUGSEUZIXMIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-10-9-19-12-14(5-8-18-6-1-2-7-18)15-11-13(17(21)22)3-4-16(15)19/h3-4,11-12,20H,1-2,5-10H2,(H,21,22).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-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-5-carboxylic acid is sourced from PubChem (CID 83947008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).