chempirical

1-Methyl-L-tryptophan

C12H14N2O2CAS 21339-55-9218.26 g/mol

Open in Covalent MOL file
NNH2OHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C12H14N2O2
Molar mass
218.26 g/mol
Exact mass
218.1055 Da
Melting point
223–225 °C (decomposes)
logP
1.13Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

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
21339-55-9
SMILES
Cn1cc(C[C@H](N)C(=O)O)c2ccccc21
InChIKey
ZADWXFSZEAPBJS-JTQLQIEISA-N
InChI
InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Tryptophan, 1-methyl-
  • Tryptophan, 1-methyl-, L-
  • 1-Methyltryptophan
  • L-1-Methyltryptophan
  • L-(-)-1-Methyltryptophan
  • NSC 77678
  • (S)-2-Amino-3-(1-methyl-1H-indol-3-yl)propanoic acid

Work with 1-Methyl-L-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Methyl-D-tryptophan110117-83-4Enantiomer

Similar compounds

1-(tert-Butoxycarbonyl)-L-tryptophan146645-63-861 % similar Dl-3-(1-naphthyl)alanine28095-56-958 % similar L-1-Naphthylalanine55516-54-658 % similar D-1-Naphthylalanine78306-92-058 % similar 1-Methyl-3-indoleacetic acid1912-48-757 % similar 3-(3-Benzo(b)thienyl)alanine72120-71-956 % similar Dl-2'-methylphenylalanine hydrochloride22888-51-354 % similar 2-Methyl-L-phenylalanine80126-53-054 % similar

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

Same formula

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 6-Methyl-DL-tryptophan2280-85-5 (±)-Mephenytoin50-12-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook