1-Methyl-D-tryptophan

C₁₂H₁₄N₂O₂CAS 110117-83-4218.26 g/mol

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Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

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

Similar compounds

1-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophan146645-63-861 % similar (αS)-α-Aminobenzo[B]thiophene-3-propanoic acid72120-71-956 % similar 2-Methyl-L-phenylalanine80126-53-054 % similar 2-Methyl-D-phenylalanine80126-54-154 % similar D-Tryptophan153-94-653 % similar (±)-Tryptophan54-12-653 % similar (±)-O-Tyrosine2370-61-852 % similar 2-Chloro-L-phenylalanine103616-89-351 % 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 1-Methyl-L-tryptophan21339-55-9 6-Methyl-dl-tryptophan2280-85-5 (±)-Mephenytoin50-12-4 N-Methyl-L-tryptophan526-31-8 5-Methyl-dl-tryptophan951-55-3

Elsewhere

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