Methyl (S)-2-amino-3-hydroxy-2-methylpropanoate hydrochloride

C5H12ClNO3CAS 114396-63-3169.60 g/mol

Open in Covalent MOL file
HOOONH2HCl
AlcoholEsterPrimary amine

Properties

Molecular formula
C5H12ClNO3
Molar mass
169.60 g/mol
Exact mass
169.0506 Da
logP
-0.71Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
114396-63-3
SMILES
C[C@](CO)(C(=O)OC)N.Cl
InChIKey
OBOVZRPIWXDGEL-JEDNCBNOSA-N
InChI
InChI=1S/C5H11NO3.ClH/c1-5(6,3-7)4(8)9-2;/h7H,3,6H2,1-2H3;1H/t5-;/m0./s1

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Names and synonyms

1 names
  • L-Serine, 2-methyl-, methyl ester, hydrochloride

Work with Methyl (S)-2-amino-3-hydroxy-2-methylpropanoate 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

α-Methyltyrosine methyl ester hydrochloride7361-31-156 % similar Methyl 3-hydroxy-2,2-dimethylpropanoate14002-80-353 % similar α-Aminoisobutyric acid methyl ester hydrochloride15028-41-853 % similar Methyl 1-aminocyclopropane-1-carboxylate hydrochloride72784-42-053 % similar Methyl 1-amino-1-cyclopentanecarboxylate hydrochloride60421-23-049 % similar 2-Methyl-L-serine16820-18-149 % similar 2-Methylserine5424-29-349 % similar 2-Methyl-D-serine81132-44-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Seryl ethyl ester hydrochloride26348-61-8 Methyl L-threoninate hydrochloride39994-75-7

Elsewhere

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