L-Leucine allyl ester P-toluenesulfonate salt

C16H25NO5SCAS 88224-03-7343.44 g/mol

Open in Covalent MOL file
SOOOHOONH2
AlkeneEsterPrimary amineSulfonic acid

Properties

Molecular formula
C16H25NO5S
Molar mass
343.44 g/mol
Exact mass
343.1453 Da
logP
2.33Crippen estimate
Polar surface area
106.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
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
88224-03-7
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C[C@@H](C(=O)OCC=C)N
InChIKey
VIDHIGJZWRNZDG-QRPNPIFTSA-N
InChI
InChI=1S/C9H17NO2.C7H8O3S/c1-4-5-12-9(11)8(10)6-7(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4,7-8H,1,5-6,10H2,2-3H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1

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Names and synonyms

1 names
  • (S)-Allyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate

Work with L-Leucine allyl ester P-toluenesulfonate salt

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.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate p-Toluenesulfonic acid104-15-4Free acid Sodium p-toluenesulfonate657-84-1Salt Pyridinium p-toluenesulfonate24057-28-1Salt Collidinium P-toluenesulfonate59229-09-3Salt Ferric p-toluenesulfonate77214-82-5Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt L-Alanine benzyl ester tosylate42854-62-6Salt Valine benzyl ester 4-toluenesulfonate16652-76-9Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate2491-17-0Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate4641-47-8Salt

Similar compounds

Leucine ethyl ester hydrochloride2743-40-038 % similar Allyl lactate5349-55-338 % similar D-Leucine methyl ester hydrochloride5845-53-434 % similar Leucine methyl ester hydrochloride7517-19-334 % similar H-D-Leu-otbu hcl13081-32-833 % similar L-Leucine tert-butyl ester hydrochloride2748-02-933 % similar Allyl amyl glycolate67634-00-832 % similar Poly(4-styrenesulfonic acid)28210-41-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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