2-(2-methyl-1H-indol-3-yl)acetic acid

C11H11NO2 — CID 589107

IUPAC2-(2-methyl-1H-indol-3-yl)acetic acid
SMILESCc1[nH]c2ccccc2c1CC(=O)O
InChIInChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyQJNNHJVSQUUHHE-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-methyl-1H-indol-3-yl)acetic acid

2-(2-methyl-1H-indol-3-yl)acetic acid (PubChem CID 589107) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)acetic acid
PubChem CID589107
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(2-methyl-1H-indol-3-yl)acetic acid
SMILESCc1[nH]c2ccccc2c1CC(=O)O
InChIInChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyQJNNHJVSQUUHHE-UHFFFAOYSA-N
XLogP2.10
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(2-methyl-1H-indol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)acetic acid (CID 589107) is 2-(2-methyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)acetic acid is Cc1[nH]c2ccccc2c1CC(=O)O.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)acetic acid?
The InChIKey is QJNNHJVSQUUHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)acetic acid?
2-(2-methyl-1H-indol-3-yl)acetic acid has a molecular weight of 189.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 589107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).