Methyl L-threoninate hydrochloride

C₅H₁₂ClNO₃CAS 39994-75-7169.61 g/mol

Open in Covalent MOL file

Alcohol Ester Primary amine

Properties

Molecular formula: C₅H₁₂ClNO₃
Molar mass: 169.61 g/mol
Exact mass: 169.0506 Da
Melting point: 122–124 °C
logP: -0.71Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

39994-75-7

SMILES

COC(=O)[C@@H](N)[C@@H](C)O.Cl

InChIKey

OZSJLLVVZFTDEY-HJXLNUONSA-N

InChI

InChI=1S/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3-,4+;/m1./s1

Weigh it out

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

Names and synonyms

5 names

L-Threonine, methyl ester, hydrochloride (1:1)
L-Threonine, methyl ester, hydrochloride
Threonine, methyl ester, hydrochloride, L-
Methyl (2S,3R)-2-amino-3-hydroxybutanoate hydrochloride
(2S,3R)-2-Amino-3-hydroxybutanoic acid methyl ester hydrochloride

Work with Methyl L-threoninate 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

Methyl DL-valinate hydrochloride5619-05-666 % similar Methyl L-valinate hydrochloride6306-52-166 % similar Methyl D-valinate hydrochloride7146-15-866 % similar Methyl isoleucinate hydrochloride18598-74-857 % similar (±)-Alanine methyl ester hydrochloride13515-97-455 % similar (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-455 % similar Alanine methyl ester hydrochloride2491-20-555 % similar Methyl 2-amino-3-hydroxypropionate hydrochloride5619-04-549 % similar

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

Same formula

Methyl (S)-2-amino-3-hydroxy-2-methylpropanoate hydrochloride114396-63-3 L-Seryl ethyl ester hydrochloride26348-61-8

Elsewhere

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