(R)-Tryptophan methyl ester monohydrochloride

C₁₂H₁₅ClN₂O₂CAS 14907-27-8254.71 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₂H₁₅ClN₂O₂
Molar mass: 254.71 g/mol
Exact mass: 254.0822 Da
logP: 1.63Crippen estimate
Polar surface area: 68.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

14907-27-8

SMILES

COC(=O)[C@H](N)Cc1c[nH]c2ccccc12.Cl

InChIKey

XNFNGGQRDXFYMM-HNCPQSOCSA-N

InChI

InChI=1S/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H/t10-;/m1./s1

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Names and synonyms

7 names

D-Tryptophan, methyl ester, hydrochloride (1:1)
Tryptophan, methyl ester, monohydrochloride, D-
D-Tryptophan, methyl ester, monohydrochloride
Methyl D-tryptophanate hydrochloride
(R)-Tryptophane methyl ester hydrochloride
Methyl-D-tryptophan hydrochloride
(R)-Methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

Work with (R)-Tryptophan methyl ester monohydrochloride

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

(S)-Tryptophan ethyl ester hydrochloride2899-28-776 % similar L-Tryptophan benzyl ester hydrochloride35858-81-271 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-660 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-860 % similar Methyl L-phenylalaninate hydrochloride7524-50-760 % similar D-Tryptophan153-94-659 % similar (±)-Tryptophan54-12-659 % similar L-Tryptophanamide hydrochloride5022-65-159 % similar

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

Same formula

DL-Methyl tryptophanate monohydrochloride5619-09-0 Tryptophan methyl ester hydrochloride7524-52-9

Elsewhere

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