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

C17H23N3O2 — CID 83946975

IUPAC1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESNCCn1cc(CCN2CCCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H23N3O2/c18-6-10-20-12-14(5-9-19-7-1-2-8-19)15-11-13(17(21)22)3-4-16(15)20/h3-4,11-12H,1-2,5-10,18H2,(H,21,22)
InChIKeyRPEKTDCVKFKUOD-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.94
Rot. Bonds6

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

1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (PubChem CID 83946975) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
PubChem CID83946975
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESNCCn1cc(CCN2CCCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H23N3O2/c18-6-10-20-12-14(5-9-19-7-1-2-8-19)15-11-13(17(21)22)3-4-16(15)20/h3-4,11-12H,1-2,5-10,18H2,(H,21,22)
InChIKeyRPEKTDCVKFKUOD-UHFFFAOYSA-N
XLogP1.94
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008
1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83948084
3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
CID 83963355
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947640
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719775
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946955
1-(2-morpholin-4-ylethyl)-3-prop-2-enylindole-5-carboxylic acid
CID 118402250
1-butyl-3-(2-piperazin-1-ylethyl)indole-6-carboxylic acid
CID 83948094
1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946979
1-butyl-5-methyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83947013

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (CID 83946975) is 1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is NCCn1cc(CCN2CCCC2)c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The InChIKey is RPEKTDCVKFKUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-6-10-20-12-14(5-9-19-7-1-2-8-19)15-11-13(17(21)22)3-4-16(15)20/h3-4,11-12H,1-2,5-10,18H2,(H,21,22).
What are the key properties of 1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is sourced from PubChem (CID 83946975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).