chempirical

L-Methionine isopropyl ester hydrochloride

C8H18ClNO2SCAS 85391-05-5227.75 g/mol

Open in Covalent MOL file
SNH2OOHCl
EsterPrimary amineSulfide

Properties

Molecular formula
C8H18ClNO2S
Molar mass
227.75 g/mol
Exact mass
227.0747 Da
logP
1.44Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
85391-05-5
SMILES
CSCC[C@H](N)C(=O)OC(C)C.Cl
InChIKey
ONXXRAMAPIOLSS-FJXQXJEOSA-N
InChI
InChI=1S/C8H17NO2S.ClH/c1-6(2)11-8(10)7(9)4-5-12-3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1

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Names and synonyms

3 names
  • L-Methionine, 1-methylethyl ester, hydrochloride (1:1)
  • L-Methionine, 1-methylethyl ester, hydrochloride
  • Methionine isopropyl ester hydrochloride

Work with L-Methionine isopropyl 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

Methionine methyl ester hydrochloride2491-18-168 % similar L-Methionine O-ethyl ester hydrochloride2899-36-764 % similar L-Alanine isopropyl ester hydrochloride62062-65-151 % similar D-Methionine348-67-449 % similar Methionine63-68-349 % similar (R)-(+)-Alpha-amino-gamma-butyrolactone hydrochloride104347-13-945 % similar (3S)-3-Aminodihydro-2(3H)-furanone hydrochloride2185-03-745 % similar Isopropyl isobutyrate617-50-543 % similar

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

Elsewhere

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