chempirical

L-Dopa methyl ester hydrochloride

C10H14ClNO4CAS 1421-65-4247.68 g/mol

Open in Covalent MOL file
OOH2NOHOHHCl
EsterPhenolPrimary amine

Properties

Molecular formula
C10H14ClNO4
Molar mass
247.68 g/mol
Exact mass
247.0611 Da
Melting point
170–171 °C
logP
0.56Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1421-65-4
SMILES
COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1.Cl
InChIKey
WFGNJLMSYIJWII-FJXQXJEOSA-N
InChI
InChI=1S/C10H13NO4.ClH/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6;/h2-3,5,7,12-13H,4,11H2,1H3;1H/t7-;/m0./s1

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Names and synonyms

12 names
  • L-Tyrosine, 3-hydroxy-, methyl ester, hydrochloride (1:1)
  • Alanine, 3-(3,4-dihydroxyphenyl)-, methyl ester, hydrochloride, L-
  • L-Tyrosine, 3-hydroxy-, methyl ester, hydrochloride
  • Alanine, 3-(3,4-dihydroxyphenyl)-, methyl ester, hydrochloride
  • 3,4-Dihydroxyphenyl-L-alanine methyl ester hydrochloride
  • Methyl L-3-(3,4-dihydroxyphenyl)alaninate hydrochloride
  • Levodopa methyl ester hydrochloride
  • ST 41769
  • L-DOPA Me ester hydrochloride
  • (S)-Dopa methyl ester hydrochloride
  • 3-Hydroxy-L-tyrosine methyl ester hydrochloride
  • (S)-Methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride

Work with L-Dopa methyl 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

Methyl L-tyrosinate hydrochloride3417-91-270 % similar Methyl D-tyrosinate hydrochloride3728-20-970 % similar Methyl L-tyrosinate1080-06-464 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-664 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-864 % similar Methyl L-phenylalaninate hydrochloride7524-50-764 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-163 % similar Methyl (S)-2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride51482-39-458 % similar

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

Elsewhere

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