chempirical

Leucine ethyl ester hydrochloride

C8H18ClNO2CAS 2743-40-0195.69 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C8H18ClNO2
Molar mass
195.69 g/mol
Exact mass
195.1026 Da
Melting point
119 °C
logP
1.34Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2743-40-0
SMILES
CCOC(=O)[C@@H](N)CC(C)C.Cl
InChIKey
NOUDPBCEONUCOV-FJXQXJEOSA-N
InChI
InChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(9)5-6(2)3;/h6-7H,4-5,9H2,1-3H3;1H/t7-;/m0./s1

Weigh it out

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

Names and synonyms

6 names
  • L-Leucine, ethyl ester, hydrochloride (1:1)
  • Leucine, ethyl ester, hydrochloride, L-
  • L-Leucine, ethyl ester, hydrochloride
  • Ethyl L-leucinate hydrochloride
  • (S)-Leucine ethyl ester hydrochloride
  • (S)-Ethyl 2-amino-4-methylpentanoate hydrochloride

Work with Leucine ethyl 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

Leucine methyl ester hydrochloride7517-19-366 % similar L-Seryl ethyl ester hydrochloride26348-61-864 % similar L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-264 % similar Ethyl cysteinate hydrochloride868-59-764 % similar Diethyl isobutylmalonate10203-58-461 % similar H-D-Leu-otbu hcl13081-32-861 % similar (S)-Alanine ethyl ester hydrochloride1115-59-960 % similar DL-α-Alanine ethyl ester hydrochloride617-27-660 % similar

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

Same formula

N-Me-ala-otbu hcl103614-40-0 Carpronium chloride13254-33-6 Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-6

Elsewhere

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