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

C13H16N2O3 — CID 83945193

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

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

2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid (PubChem CID 83945193) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
PubChem CID83945193
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
SMILESCOc1ccc2c(CCN)cn(CC(=O)O)c2c1
InChIInChI=1S/C13H16N2O3/c1-18-10-2-3-11-9(4-5-14)7-15(8-13(16)17)12(11)6-10/h2-3,6-7H,4-5,8,14H2,1H3,(H,16,17)
InChIKeyZLYAPYBGFRRDTP-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid (CID 83945193) is 2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid is COc1ccc2c(CCN)cn(CC(=O)O)c2c1.
What is the InChIKey of 2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid?
The InChIKey is ZLYAPYBGFRRDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-10-2-3-11-9(4-5-14)7-15(8-13(16)17)12(11)6-10/h2-3,6-7H,4-5,8,14H2,1H3,(H,16,17).
What are the key properties of 2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid?
2-[3-(2-aminoethyl)-6-methoxyindol-1-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-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid is sourced from PubChem (CID 83945193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).