2-Methyl-1H-indole-3-acetic acid

C11H11NO2CAS 1912-43-2189.21 g/mol

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NHOOH
Carboxylic acid

Properties

Molecular formula
C11H11NO2
Molar mass
189.21 g/mol
Exact mass
189.0790 Da
Melting point
199–200 °C
logP
2.10Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1912-43-2
SMILES
Cc1[nH]c2ccccc2c1CC(=O)O
InChIKey
QJNNHJVSQUUHHE-UHFFFAOYSA-N
InChI
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)

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Names and synonyms

6 names
  • 1H-Indole-3-acetic acid, 2-methyl-
  • Indole-3-acetic acid, 2-methyl-
  • 2-Methylindole-3-acetic acid
  • 2-Methyl-3-indolylacetic acid
  • 2-(2-Methyl-1H-indol-3-yl)acetic acid
  • (2-Methyl-1H-indol-3-yl)acetic acid

Work with 2-Methyl-1H-indole-3-acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methoxy-2-methylindole-3-acetic acid2882-15-764 % similar 2-Methyltryptamine2731-06-853 % similar Indole-3-acetic acid87-51-450 % similar 2,3-Dimethylindole91-55-445 % similar (2-Methylphenyl)acetic acid644-36-044 % similar 3-Methylbenzo[b]thiophene-2-acetic acid1505-52-843 % similar 1,2-Benzenediacetic acid7500-53-043 % similar 2-Methylindole-3-carboxaldehyde5416-80-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethoxy-1H-indole-3-carbaldehyde169789-47-3 β-Indolylacetic acid methyl ester1912-33-0 5-Methyl-3-indoleacetic acid1912-47-6 1-Methyl-3-indoleacetic acid1912-48-7 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-7 5-Methylindole-3-carboxylic acid methyl ester227960-12-5 Isopropylphthalimide304-17-6 Ethyl indole-5-carboxylate32996-16-0

Elsewhere

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