chempirical

L-Serine benzyl ester hydrochloride

C10H14ClNO3CAS 60022-62-0231.68 g/mol

Open in Covalent MOL file
OOOHNH2HCl
AlcoholEsterPrimary amine

Properties

Molecular formula
C10H14ClNO3
Molar mass
231.68 g/mol
Exact mass
231.0662 Da
logP
0.47Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

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

Identifiers

CAS number
60022-62-0
SMILES
C1=CC=C(C=C1)COC(=O)[C@H](CO)N.Cl
InChIKey
MGZWCDQAKCHOBX-FVGYRXGTSA-N
InChI
InChI=1S/C10H13NO3.ClH/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;/h1-5,9,12H,6-7,11H2;1H/t9-;/m0./s1

Weigh it out

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

Work with L-Serine benzyl 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Serine benzyl ester hydrochloride151651-44-4Enantiomer

Similar compounds

Phenylalanine benzyl ester hydrochloride2462-32-074 % similar Dibenzyl L-glutamate hydrochloride4561-10-866 % similar O-Benzyl-L-tyrosine benzyl ester hydrochloride52142-01-563 % similar H-Asp-OBzl7362-93-863 % similar Alanine benzyl ester hydrochloride5557-83-562 % similar L-Glutamic acid alpha-benzyl ester13030-09-660 % similar H-D-Glu-obzl79338-14-060 % similar L-Valine benzyl ester hydrochloride2462-34-259 % similar

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

Same formula

Methyl L-tyrosinate hydrochloride3417-91-2 Methyl D-tyrosinate hydrochloride3728-20-9

Elsewhere

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