Methionine methyl ester hydrochloride

C6H14ClNO2SCAS 2491-18-1199.69 g/mol

Open in Covalent MOL file
OONH2SHCl
EsterPrimary amineSulfide

Properties

Molecular formula
C6H14ClNO2S
Molar mass
199.69 g/mol
Exact mass
199.0434 Da
Melting point
159–161 °C
logP
0.66Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
Sin 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
2491-18-1
SMILES
COC(=O)[C@@H](N)CCSC.Cl
InChIKey
MEVUPUNLVKELNV-JEDNCBNOSA-N
InChI
InChI=1S/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1

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Names and synonyms

8 names
  • L-Methionine, methyl ester, hydrochloride
  • L-Methionine, methyl ester, hydrochloride (1:1)
  • Methionine, methyl ester, hydrochloride, L-
  • Methyl (S)-methioninate hydrochloride
  • (S)-Methionine methyl ester hydrochloride
  • Methyl L-methioninate hydrochloride
  • NSC 522231
  • (S)-2-Amino-4-methylsulfanylbutanoic acid methyl ester hydrochloride

Work with Methionine 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

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.

H-D-Met-ome hcl69630-60-0Enantiomer

Similar compounds

L-Methionine O-ethyl ester hydrochloride2899-36-768 % similar H-D-Met-oet hcl7512-43-868 % similar L-Methionine isopropyl ester hydrochloride85391-05-568 % similar L-Glutamine methyl ester hydrochloride32668-14-764 % similar D-Glutamine methyl ester hydrochloride74817-54-264 % similar Cystine dimethyl ester dihydrochloride32854-09-463 % similar 1,5-Dimethyl 2-aminopentanedioate hydrochloride13515-99-662 % similar Dimethyl L-glutamate hydrochloride23150-65-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Vitamin U1115-84-0 DL-Methionine methylsulfonium chloride3493-12-7

Elsewhere

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