chempirical

D-Leucine methyl ester hydrochloride

C7H16ClNO2CAS 5845-53-4181.66 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
logP
0.95Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
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
5845-53-4
SMILES
CC(C)C[C@H](C(=O)OC)N.Cl
InChIKey
DODCBMODXGJOKD-FYZOBXCZSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m1./s1

Weigh it out

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Work with D-Leucine 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.

Leucine methyl ester hydrochloride7517-19-3Enantiomer

Similar compounds

Leucine ethyl ester hydrochloride2743-40-066 % similar H-D-Leu-otbu hcl13081-32-864 % similar Methyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride17193-39-464 % similar L-Leucine tert-butyl ester hydrochloride2748-02-964 % similar (S)-Methyl 2-aminobutanoate hydrochloride56545-22-364 % similar Methyl D-homoalaninate hcl85774-09-064 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-462 % similar Methyl cysteinate hydrochloride18598-63-562 % similar

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

Same formula

L-Alanine tert-butyl ester hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 L-Beta-homoisoleucine hydrochloride219310-10-8 (±)-Valine ethyl ester hydrochloride23358-42-1 N-Me-val-ome hcl3339-44-4 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Sarcosine t-butyl ester hydrochloride5616-81-9

Elsewhere

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