Methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride

C11H16ClNO4SCAS 851785-21-2293.76 g/mol

Open in Covalent MOL file
OOSOOH2NHCl
EsterPrimary amineSulfone

Properties

Molecular formula
C11H16ClNO4S
Molar mass
293.76 g/mol
Exact mass
293.0489 Da
logP
0.55Crippen estimate
Polar surface area
86.5 Ų
H-bond donors / acceptors
1 / 5
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
851785-21-2
SMILES
COC(=O)[C@H](CC1=CC(=CC=C1)S(=O)(=O)C)N.Cl
InChIKey
VUUYKOLKOIYVCR-PPHPATTJSA-N
InChI
InChI=1S/C11H15NO4S.ClH/c1-16-11(13)10(12)7-8-4-3-5-9(6-8)17(2,14)15;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m0./s1

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Names and synonyms

1 names
  • (S)-Methyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride

Work with Methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate 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 (R)-phenylalaninate hydrochloride13033-84-664 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-864 % similar Methyl L-phenylalaninate hydrochloride7524-50-764 % similar Phenylalanine methyl ester2577-90-457 % similar DL-(p-Chlorophenyl)alanine methyl ester hydrochloride14173-40-157 % similar 4-Chloro-D-phenylalanine methyl ester hydrochloride33965-47-857 % similar L-Dopa methyl ester hydrochloride1421-65-457 % similar Methyl L-tyrosinate hydrochloride3417-91-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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