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

C₅H₁₂ClNO₃CAS 114396-63-3169.60 g/mol

Open in Covalent MOL file

Alcohol Ester Primary 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

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 2-Methylserine5424-29-349 % similar Methyl 2-hydroxyisobutyrate2110-78-340 % similar Methyl pivalate598-98-139 % similar Dimethyl 1,1-cyclopropanedicarboxylate6914-71-238 % similar Ethyl α-aminoisobutyrate hydrochloride17288-15-238 % 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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