H-D-Met-oet hcl

C₇H₁₆ClNO₂SCAS 7512-43-8213.72 g/mol

Open in Covalent MOL file

Ester Primary amine Sulfide

Properties

Molecular formula: C₇H₁₆ClNO₂S
Molar mass: 213.72 g/mol
Exact mass: 213.0590 Da
logP: 1.05Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7512-43-8

SMILES

CCOC(=O)[C@@H](CCSC)N.Cl

InChIKey

KPWCQEUBJAIORR-FYZOBXCZSA-N

InChI

InChI=1S/C7H15NO2S.ClH/c1-3-10-7(9)6(8)4-5-11-2;/h6H,3-5,8H2,1-2H3;1H/t6-;/m1./s1

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Work with H-D-Met-oet hcl

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.

L-Methionine O-ethyl ester hydrochloride2899-36-7Enantiomer

Similar compounds

L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-269 % similar Methionine methyl ester hydrochloride2491-18-168 % similar H-D-Met-ome hcl69630-60-068 % similar Diethyl L-glutamate hydrochloride1118-89-464 % similar (S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-264 % similar L-Methionine isopropyl ester hydrochloride85391-05-564 % similar Lysine ethyl ester dihydrochloride3844-53-963 % similar L-Seryl ethyl ester hydrochloride26348-61-861 % similar

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

Same formula

S-tert-Butyl-L-cysteine hydrochloride2481-09-6 3-Chloro-propane-1-sulfonic acid tert-butylamide63132-85-4

Elsewhere

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