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

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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

tert-Butyl alaninate 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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