chempirical

5-Methyl-dl-tryptophan

C12H14N2O2CAS 951-55-3218.26 g/mol

Open in Covalent MOL file
HNNH2OOH
Carboxylic acidPrimary amine

Properties

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

Identifiers

CAS number
951-55-3
SMILES
Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1
InChIKey
HUNCSWANZMJLPM-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)

Weigh it out

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

Names and synonyms

10 names
  • Tryptophan, 5-methyl-
  • Tryptophan, 5-methyl-, DL-
  • DL-Tryptophan, 5-methyl-
  • 5-Methyltryptophan
  • DL-5-Methyltryptophan
  • DL-5-Methyltryptophane
  • (±)-5-Methyltryptophan
  • NSC 57695
  • 2-Amino-3-(5-methyl-1H-indol-3-yl)propanoic acid
  • 2-Azaniumyl-3-(5-methyl-1H-indol-3-yl)propanoate

Work with 5-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-Hydroxytryptophan114-03-474 % similar 5-Hydroxytryptophan4350-09-874 % similar (±)-5-Hydroxytryptophan56-69-974 % similar (±)-5-Hydroxytryptophan72572-98-674 % similar 5-Methoxy-dl-tryptophan28052-84-871 % similar 5-Fluoro-dl-tryptophan154-08-571 % similar 5-Bromo-dl-tryptophan6548-09-071 % similar D-Tryptophan153-94-667 % 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 1-Methyl-L-tryptophan21339-55-9 6-Methyl-dl-tryptophan2280-85-5 (±)-Mephenytoin50-12-4 N-Methyl-L-tryptophan526-31-8

Elsewhere

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