2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid

C17H16N2O3 — CID 170655507

IUPAC2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid
SMILESO=C(O)c1c(O)cccc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O3/c20-15-7-3-6-14(16(15)17(21)22)18-9-8-11-10-19-13-5-2-1-4-12(11)13/h1-7,10,18-20H,8-9H2,(H,21,22)
InChIKeyUAUVGUFFOXUHIH-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.23
Rot. Bonds5

About 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid

2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid (PubChem CID 170655507) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid
PubChem CID170655507
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid
SMILESO=C(O)c1c(O)cccc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O3/c20-15-7-3-6-14(16(15)17(21)22)18-9-8-11-10-19-13-5-2-1-4-12(11)13/h1-7,10,18-20H,8-9H2,(H,21,22)
InChIKeyUAUVGUFFOXUHIH-UHFFFAOYSA-N
XLogP3.23
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid?
The IUPAC name of 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid (CID 170655507) is 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid is O=C(O)c1c(O)cccc1NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid?
The InChIKey is UAUVGUFFOXUHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-15-7-3-6-14(16(15)17(21)22)18-9-8-11-10-19-13-5-2-1-4-12(11)13/h1-7,10,18-20H,8-9H2,(H,21,22).
What are the key properties of 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid?
2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid has a molecular weight of 296.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[2-(1H-indol-3-yl)ethylamino]benzoic acid is sourced from PubChem (CID 170655507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).