5-Methyl-3-indoleacetic acid

C11H11NO2CAS 1912-47-6189.21 g/mol

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HNOOH
Carboxylic acid

Properties

Molecular formula
C11H11NO2
Molar mass
189.21 g/mol
Exact mass
189.0790 Da
Melting point
151 °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
1912-47-6
SMILES
Cc1ccc2[nH]cc(CC(=O)O)c2c1
InChIKey
VYFDKXJAORBSAW-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO2/c1-7-2-3-10-9(4-7)8(6-12-10)5-11(13)14/h2-4,6,12H,5H2,1H3,(H,13,14)

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Names and synonyms

5 names
  • 1H-Indole-3-acetic acid, 5-methyl-
  • Indole-3-acetic acid, 5-methyl-
  • 5-Methyl-1H-indole-3-acetic acid
  • 2-(5-Methyl-1H-indol-3-yl)acetic acid
  • NSC 21428

Work with 5-Methyl-3-indoleacetic 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-Hydroxyindoleacetic acid1321-73-968 % similar 5-Hydroxyindoleacetic acid54-16-068 % similar 5-Methoxyindoleacetic acid3471-31-667 % similar (5-Bromo-1H-indol-3-yl)acetic acid40432-84-667 % similar 5-Fluoroindole-3-acetic acid443-73-267 % similar Indole-3-acetic acid87-51-463 % similar 5-Methyl-DL-tryptophan951-55-358 % similar 5-Benzyloxyindole-3-acetic acid4382-53-057 % 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 2-Methyl-1H-indole-3-acetic acid1912-43-2 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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