(S)-Tryptophan ethyl ester hydrochloride

C₁₃H₁₇ClN₂O₂CAS 2899-28-7268.74 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₃H₁₇ClN₂O₂
Molar mass: 268.74 g/mol
Exact mass: 268.0979 Da
Melting point: 222–224 °C
logP: 2.02Crippen estimate
Polar surface area: 68.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

2899-28-7

SMILES

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

InChIKey

PESYCVVSLYSXAK-MERQFXBCSA-N

InChI

InChI=1S/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H/t11-;/m0./s1

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Names and synonyms

5 names

L-Tryptophan, ethyl ester, hydrochloride (1:1)
Tryptophan, ethyl ester, monohydrochloride, L-
L-Tryptophan, ethyl ester, monohydrochloride
H-Trp-OEt·HCl
L-Tryptophan ethyl ester hydrochloride

Work with (S)-Tryptophan ethyl ester hydrochloride

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

(R)-Tryptophan methyl ester monohydrochloride14907-27-876 % similar DL-Methyl tryptophanate monohydrochloride5619-09-076 % similar Tryptophan methyl ester hydrochloride7524-52-976 % similar L-Tryptophan benzyl ester hydrochloride35858-81-275 % similar Phenylalanine ethyl ester hydrochloride3182-93-261 % similar N-Acetyl-L-tryptophan ethyl ester2382-80-159 % similar D-Tryptophan153-94-657 % similar (±)-Tryptophan54-12-657 % similar

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

Same formula

Moclobemide71320-77-9

Elsewhere

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