chempirical

Leucine methyl ester hydrochloride

C7H16ClNO2CAS 7517-19-3181.66 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
Melting point
118 °C
logP
0.95Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
7517-19-3
SMILES
COC(=O)[C@@H](N)CC(C)C.Cl
InChIKey
DODCBMODXGJOKD-RGMNGODLSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1

Weigh it out

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

Names and synonyms

10 names
  • L-Leucine, methyl ester, hydrochloride (1:1)
  • L-Leucine, methyl ester, hydrochloride
  • Leucine, methyl ester, hydrochloride, L-
  • Methyl leucinate hydrochloride
  • Methyl L-leucinate hydrochloride
  • (S)-Leucine methyl ester hydrochloride
  • Methyl (S)-leucinate hydrochloride
  • NSC 522233
  • Methyl (S)-2-amino-4-methylpentanoate hydrochloride
  • (S)-2-Amino-4-methylpentanoic acid methyl ester hydrochloride

Work with 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

Similar compounds

Leucine ethyl ester hydrochloride2743-40-066 % similar H-D-Leu-otbu hcl13081-32-864 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-462 % similar Methyl cysteinate hydrochloride18598-63-562 % similar Cystine dimethyl ester dihydrochloride32854-09-462 % similar Methyl 2-amino-3-hydroxypropionate hydrochloride5619-04-562 % similar Serine methyl ester hydrochloride5680-80-862 % similar Methyl D-serinate hydrochloride5874-57-762 % 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 (±)-Valine ethyl ester hydrochloride23358-42-1 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 D-Alanine tert-butyl ester hydrochloride59531-86-1 Acetylcholine chloride60-31-1 (3-Carboxypropyl)trimethylammonium chloride6249-56-5

Elsewhere

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