1-Methyl-D-tryptophan

C12H14N2O2CAS 110117-83-4218.26 g/mol

Open in Covalent MOL file
NOHONH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C12H14N2O2
Molar mass
218.26 g/mol
Exact mass
218.1055 Da
logP
1.13Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
110117-83-4
SMILES
CN1C=C(C2=CC=CC=C21)C[C@H](C(=O)O)N
InChIKey
ZADWXFSZEAPBJS-SNVBAGLBSA-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-/m1/s1

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Names and synonyms

1 names
  • Indoximod

Work with 1-Methyl-D-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-L-tryptophan21339-55-9Enantiomer

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

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