2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid

C13H16N2O3 — CID 83945216

IUPAC2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
SMILESCOc1ccc2c(CC(=O)O)cn(CCN)c2c1
InChIInChI=1S/C13H16N2O3/c1-18-10-2-3-11-9(6-13(16)17)8-15(5-4-14)12(11)7-10/h2-3,7-8H,4-6,14H2,1H3,(H,16,17)
InChIKeyUOWADAIXEYFYHH-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.24
Rot. Bonds5

About 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid

2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid (PubChem CID 83945216) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
PubChem CID83945216
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
SMILESCOc1ccc2c(CC(=O)O)cn(CCN)c2c1
InChIInChI=1S/C13H16N2O3/c1-18-10-2-3-11-9(6-13(16)17)8-15(5-4-14)12(11)7-10/h2-3,7-8H,4-6,14H2,1H3,(H,16,17)
InChIKeyUOWADAIXEYFYHH-UHFFFAOYSA-N
XLogP1.24
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
CID 83948380
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
CID 83948673
2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
2-(1-butyl-6-methoxyindol-3-yl)ethanamine
CID 83948665
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
2-[1-(2-aminoethyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944375
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid (CID 83945216) is 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid is COc1ccc2c(CC(=O)O)cn(CCN)c2c1.
What is the InChIKey of 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid?
The InChIKey is UOWADAIXEYFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-10-2-3-11-9(6-13(16)17)8-15(5-4-14)12(11)7-10/h2-3,7-8H,4-6,14H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid?
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid is sourced from PubChem (CID 83945216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).