chempirical

6-Methyl-DL-tryptophan

C12H14N2O2CAS 2280-85-5218.26 g/mol

Open in Covalent MOL file
H2NOOHHN
Carboxylic acidPrimary amine

Properties

Molecular formula
C12H14N2O2
Molar mass
218.26 g/mol
Exact mass
218.1055 Da
Melting point
258–260 °C
logP
1.43Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
2280-85-5
SMILES
Cc1ccc2c(CC(N)C(=O)O)c[nH]c2c1
InChIKey
GDMRVYIFGPMUCG-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O2/c1-7-2-3-9-8(5-10(13)12(15)16)6-14-11(9)4-7/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)

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

Names and synonyms

9 names
  • Tryptophan, 6-methyl-
  • Tryptophan, 6-methyl-, DL-
  • DL-Tryptophan, 6-methyl-
  • 6-Methyltryptophan
  • DL-6-Methyltryptophan
  • DL-6-Methyltryptophane
  • (±)-6-Methyltryptophan
  • NSC 1461
  • 2-Amino-3-(6-methyl-1H-indol-3-yl)propanoic acid

Work with 6-Methyl-DL-tryptophan

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-Methyl-DL-tryptophan951-55-382 % similar 6-Chloro-L-tryptophan33468-35-871 % similar 6-Fluorotryptophan7730-20-371 % similar D-Tryptophan153-94-667 % similar (±)-Tryptophan54-12-667 % similar Tryptophan73-22-367 % similar (+-)-5-Hydroxytryptophan114-03-463 % similar 5-Hydroxytryptophan4350-09-863 % similar

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

Same formula

1-Methyl-D-tryptophan110117-83-4 N-Acetylserotonin1210-83-9 Primidone125-33-7 7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid152628-03-0 Alpha-methyl-L-tryptophan16709-25-4 2-(tert-Butyl)-5-nitro-1H-indole174274-85-2 1-Methyl-L-tryptophan21339-55-9 (±)-Mephenytoin50-12-4

Elsewhere

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