D-Lysine methyl ester dihydrochloride

C7H18Cl2N2O2CAS 67396-08-1233.13 g/mol

Open in Covalent MOL file
OONH2NH2HClHCl
EsterPrimary amine

Properties

Molecular formula
C7H18Cl2N2O2
Molar mass
233.13 g/mol
Exact mass
232.0745 Da
logP
0.46Crippen estimate
Polar surface area
78.3 Ų
H-bond donors / acceptors
2 / 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.

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Identifiers

CAS number
67396-08-1
SMILES
COC(=O)[C@@H](CCCCN)N.Cl.Cl
InChIKey
SXZCBVCQHOJXDR-QYCVXMPOSA-N
InChI
InChI=1S/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H/t6-;;/m1../s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with D-Lysine methyl ester dihydrochloride

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.

Methyl L-lysinate dihydrochloride26348-70-9Enantiomer

Similar compounds

Methyl L-ornithine dihydrochloride40216-82-891 % similar Ethyl L-lysinate dihydrochloride3844-53-968 % similar L-Glutamine methyl ester hydrochloride32668-14-767 % similar D-Glutamine methyl ester hydrochloride74817-54-267 % similar Methyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride17193-39-463 % similar (S)-Methyl 2-aminobutanoate hydrochloride56545-22-363 % similar Methyl D-homoalaninate hcl85774-09-063 % similar H-D-Arg-ome 2hcl78851-84-061 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-2

Elsewhere

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