chempirical

Indole-3-lactic acid

C11H11NO3CAS 1821-52-9205.21 g/mol

Open in Covalent MOL file
OHOHONH
AlcoholCarboxylic acid

Properties

Molecular formula
C11H11NO3
Molar mass
205.21 g/mol
Exact mass
205.0739 Da
Melting point
97–100 °C
logP
1.16Crippen estimate
Polar surface area
73.3 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
3

Identifiers

CAS number
1821-52-9
SMILES
O=C(O)C(O)Cc1c[nH]c2ccccc12
InChIKey
XGILAAMKEQUXLS-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)

Weigh it out

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

Names and synonyms

11 names
  • 1H-Indole-3-propanoic acid, α-hydroxy-
  • Indolelactic acid
  • α-Hydroxy-1H-indole-3-propanoic acid
  • 3-Indolyllactic acid
  • β-(3-Indolyl)lactic acid
  • β-Indolyllactic acid
  • 2-Hydroxy-3-(3-indolyl)propanoic acid
  • 3-(3-Indolyl)-2-hydroxypropionic acid
  • DL-Indole-3-lactic acid
  • 2-Hydroxy-3-(1H-indol-3-yl)propanoic acid
  • 3-(3-Indolyl)-DL-lactic acid

Work with Indole-3-lactic 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

D-Tryptophan153-94-669 % similar (±)-Tryptophan54-12-669 % similar Tryptophan73-22-369 % similar N-Methyl-L-tryptophan526-31-864 % similar Acetyl-L-tryptophan1218-34-460 % similar N-Acetyl-D-tryptophan2280-01-560 % similar N-Acetyl-dl-tryptophan87-32-160 % similar Glycyl-L-tryptophan2390-74-158 % similar

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

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 Rel-(3R,4S)-3-(acetyloxy)-4-phenyl-2-azetidinone133066-59-8 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-8 Ethyl 5-aminobenzofuran-2-carboxylate174775-48-5 Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-1 3-Cyano-4-(1-methylethoxy)benzoic acid258273-31-3

Elsewhere

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