chempirical

α-Aminoisobutyric acid methyl ester hydrochloride

C5H12ClNO2CAS 15028-41-8153.61 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C5H12ClNO2
Molar mass
153.61 g/mol
Exact mass
153.0557 Da
Melting point
183–184 °C
logP
0.32Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
15028-41-8
SMILES
COC(=O)C(C)(C)N.Cl
InChIKey
NVWZNEDLYYLQJC-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2.ClH/c1-5(2,6)4(7)8-3;/h6H2,1-3H3;1H

Weigh it out

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Names and synonyms

13 names · show all
  • Alanine, 2-methyl-, methyl ester, hydrochloride (1:1)
  • Methyl α-aminoisobutyrate hydrochloride
  • 2-Methylalanine methyl ester hydrochloride
  • Methyl 2-aminoisobutyrate hydrochloride
  • 2,2-Dimethylglycine methyl ester hydrochloride
  • Methyl 2-amino-2-methylpropanoate hydrochloride
  • 2-Aminoisobutyric acid methyl ester hydrochloride
  • 2-Amino-2-methylpropionic acid methyl ester hydrochloride
  • 2-Aminoisobutanoic acid methyl ester hydrochloride
  • Methyl 2-aminoisobutanoate hydrochloride
  • 2-Amino-2-methylpropanoic acid methyl ester hydrochloride
  • Methyl 2-amino-2-methylpropanoate hydrochloride salt
  • Alanine, 2-methyl-, methyl ester, hydrochloride

Work with α-Aminoisobutyric acid 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

Ethyl α-aminoisobutyrate hydrochloride17288-15-258 % similar Methyl (S)-2-amino-3-hydroxy-2-methylpropanoate hydrochloride114396-63-353 % similar Methyl pivalate598-98-148 % similar Methyl 2-hydroxyisobutyrate2110-78-343 % similar Methyl 2-bromo-2-methylpropanoate23426-63-343 % similar 1,1′-Dimethyl 2,2′-(1,2-diazenediyl)bis[2-methylpropanoate]2589-57-343 % similar Methyl 2-fluoroisobutyrate338-76-143 % similar α-Methyltyrosine methyl ester hydrochloride7361-31-142 % similar

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

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 3-Dimethylaminopropionic acid hydrochloride14788-12-6 (S)-2-(Aminomethyl)-1,4-dioxane Hydrochloride1523541-96-9 4,4-Dihydroxypiperidine hydrochloride40064-34-4

Elsewhere

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