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.

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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

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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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