Methyl L-threoninate hydrochloride

C5H12ClNO3CAS 39994-75-7169.61 g/mol

Open in Covalent MOL file
OONH2OHHCl
AlcoholEsterPrimary 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 D-valinate hydrochloride21685-47-266 % similar 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

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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