chempirical

L-tert-Leucine methyl ester hydrochloride

C7H16ClNO2CAS 63038-27-7181.66 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
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
63038-27-7
SMILES
COC(=O)[C@@H](N)C(C)(C)C.Cl
InChIKey
HRTQWUHFSXVRPY-NUBCRITNSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1

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

Names and synonyms

5 names
  • L-Valine, 3-methyl-, methyl ester, hydrochloride (1:1)
  • L-Valine, 3-methyl-, methyl ester, hydrochloride
  • Methyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloride
  • Methyl (S)-2-amino-3,3-dimethylbutanoate hydrochloride
  • L-tert-Butylglycine methyl ester hydrochloride

Work with L-tert-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

(±)-Alanine methyl ester hydrochloride13515-97-453 % similar (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-453 % similar Alanine methyl ester hydrochloride2491-20-553 % similar H-Dap(boc)-ome hcl114559-25-050 % similar Methyl DL-valinate hydrochloride5619-05-650 % similar Methyl L-valinate hydrochloride6306-52-150 % similar Methyl D-valinate hydrochloride7146-15-850 % similar L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-148 % 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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