chempirical

1H-Indole-3-propanoic acid

C11H11NO2CAS 830-96-6189.21 g/mol

Open in Covalent MOL file
OOHNH
Carboxylic acid

Properties

Molecular formula
C11H11NO2
Molar mass
189.21 g/mol
Exact mass
189.0790 Da
Melting point
134–135 °C
logP
2.19Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
3

Identifiers

CAS number
830-96-6
SMILES
O=C(O)CCc1c[nH]c2ccccc12
InChIKey
GOLXRNDWAUTYKT-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Indole-3-propionic acid
  • 3-(3-Indolyl)propionic acid
  • β-(3-Indolyl)propionic acid
  • β-Indole-3-propionic acid
  • β-Indolepropionic acid
  • 1H-Indole-3-propionic acid
  • 3-(3-Indolyl)propanoic acid
  • 3-(2-Carboxyethyl)-1H-indole
  • IPA
  • IPA (auxin)
  • 3-(1H-Indol-3-yl)propanoic acid
  • 3-(1H-Indol-3-yl)propionic acid
  • NSC 3252
  • NSC 47831
  • 3-(Indole-3-yl)propanoic acid

Work with 1H-Indole-3-propanoic 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

Indole-3-butyric acid133-32-483 % similar Indole-3-acetic acid87-51-474 % similar Indole-3-pyruvic acid392-12-156 % similar Tryptophol526-55-656 % similar Indole-3-lactic acid1821-52-953 % similar 5-Bromo-1H-indole-3-butanoic acid13993-31-253 % similar L-Tryptophanylglycine7360-09-053 % similar 3,3'-Diindolylmethane1968-05-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

β-Indolylacetic acid methyl ester1912-33-0 2-Methyl-1H-indole-3-acetic acid1912-43-2 5-Methyl-3-indoleacetic acid1912-47-6 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-7 N-Isopropylphthalimide304-17-6 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile35202-54-1 4-(2-Oxo-1-pyrrolidinyl)benzaldehyde36151-45-8 Ethyl 1H-indole-2-carboxylate3770-50-1

Elsewhere

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