3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid

C15H20N2O3 — CID 83945854

IUPAC3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN)cn(CCO)c12
InChIInChI=1S/C15H20N2O3/c1-2-10-7-12(15(19)20)8-13-11(3-4-16)9-17(5-6-18)14(10)13/h7-9,18H,2-6,16H2,1H3,(H,19,20)
InChIKeyDAZKQJXAKWICRO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.40
Rot. Bonds6

About 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid

3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid (PubChem CID 83945854) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
PubChem CID83945854
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN)cn(CCO)c12
InChIInChI=1S/C15H20N2O3/c1-2-10-7-12(15(19)20)8-13-11(3-4-16)9-17(5-6-18)14(10)13/h7-9,18H,2-6,16H2,1H3,(H,19,20)
InChIKeyDAZKQJXAKWICRO-UHFFFAOYSA-N
XLogP1.40
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
CID 83945917
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876
1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
3,7-diethyl-1-(3-hydroxypropyl)indole-5-carboxylic acid
CID 83945897
3-(2-aminoethyl)-7-tert-butyl-1-ethylindole-5-carboxylic acid
CID 83945572
3-(2-aminoethyl)-1-(2-hydroxyethyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946236
1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid
CID 83945644
3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
CID 83964261
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
3-(3-aminopropyl)-1-(2-hydroxyethyl)-5-methylindole-7-carboxylic acid
CID 83946040
1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid
CID 83945892

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid (CID 83945854) is 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid is CCc1cc(C(=O)O)cc2c(CCN)cn(CCO)c12.
What is the InChIKey of 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid?
The InChIKey is DAZKQJXAKWICRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-10-7-12(15(19)20)8-13-11(3-4-16)9-17(5-6-18)14(10)13/h7-9,18H,2-6,16H2,1H3,(H,19,20).
What are the key properties of 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid?
3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid is sourced from PubChem (CID 83945854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).