chempirical

Glycine benzyl ester p-tosylate

C16H19NO5SCAS 1738-76-7337.39 g/mol

Open in Covalent MOL file
SOOOHH2NOO
EsterPrimary amineSulfonic acid

Properties

Molecular formula
C16H19NO5S
Molar mass
337.39 g/mol
Exact mass
337.0984 Da
Melting point
132–133 °C
logP
1.93Crippen estimate
Polar surface area
106.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Identifiers

CAS number
1738-76-7
SMILES
Cc1ccc(S(=O)(=O)O)cc1.NCC(=O)OCc1ccccc1
InChIKey
WJKJXKRHMUXQSL-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)

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Names and synonyms

13 names · show all
  • Glycine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
  • Glycine, benzyl ester, p-toluenesulfonate
  • Glycine, phenylmethyl ester, 4-methylbenzenesulfonate
  • Glycine benzyl ester tosylate
  • Benzyl glycinate p-toluenesulfonate
  • Benzyl glycinate p-tolylsulfonate
  • Benzyl glycinate p-toluenesulfonic acid salt
  • Benzyl glycinate tosylate
  • Benzyl glycinate toluenesulfonate
  • Glycine benzyl ester 4-toluenesulfonate
  • Glycine benzyl ester 4-toluenesulfonic acid salt
  • Gly-OBzl TosOH
  • H-Gly-OBzl toluenesulfonate

Work with Glycine benzyl ester p-tosylate

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

L-Aspartic acid dibenzyl ester tosylate2886-33-170 % similar D-Aspartic acid dibenzyl ester tosylate4079-64-570 % similar L-Glutamic acid dibenzyl ester p-toluenesulfonate2791-84-668 % similar D-Alanine benzyl ester p-toluenesulfonate41036-32-266 % similar L-Alanine benzyl ester tosylate42854-62-666 % similar L-Phenylalanine benzyl ester p-toluenesulfonate1738-78-965 % similar Valine benzyl ester 4-toluenesulfonate16652-76-964 % similar L-Leucine benzyl ester p-toluenesulfonate1738-77-861 % similar

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

Elsewhere

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