(1R,2S)-Methyl 1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate

C₁₄H₁₉NO₅SCAS 862273-27-6313.37 g/mol

Open in Covalent MOL file

Alkene Ester Primary amine Sulfonic acid

Properties

Molecular formula: C₁₄H₁₉NO₅S
Molar mass: 313.37 g/mol
Exact mass: 313.0984 Da
logP: 1.30Crippen estimate
Polar surface area: 106.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3
Stereocentres: S, Rin 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

862273-27-6

SMILES

C=C[C@@H]1C[C@]1(N)C(=O)OC.Cc1ccc(S(=O)(=O)O)cc1

InChIKey

IUHJYIOSAPJUMG-HCSZTWNASA-N

InChI

InChI=1S/C7H11NO2.C7H8O3S/c1-3-5-4-7(5,8)6(9)10-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,5H,1,4,8H2,2H3;2-5H,1H3,(H,8,9,10)/t5-,7-;/m1./s1

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

Names and synonyms

2 names

Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, (1R,2S)-, 4-methylbenzenesulfonate (1:1)
Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, (1R,2S)-, 4-methylbenzenesulfonate

Work with (1R,2S)-Methyl 1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate

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 O-Benzylglycine toluene-p-sulphonate1738-76-7Salt Trump IR134127-48-3Salt L-Alanine benzyl ester tosylate42854-62-6Salt Valine benzyl ester 4-toluenesulfonate16652-76-9Salt L-Aspartic acid dibenzyl ester tosylate2886-33-1Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate2491-17-0Salt

Similar compounds

Methyl 2-(4-methylphenylsulfonamido)acetate2645-02-534 % similar Poly(4-styrenesulfonic acid)28210-41-533 % similar (4-Tolylsulphonyl)acetic acid3937-96-032 % similar (p-Tolylsulphonyl)acetone5366-49-431 % similar 4-Amino-3-methylbenzenesulfonic acid98-33-931 % similar Ethylene glycol ditosylate6315-52-230 % similar 4-Ethylbenzenesulfonic acid98-69-130 % similar α-Tosyl-L-arginine methyl ester901-47-330 % similar

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

Same formula

1-((Benzyloxy)carbonyl)piperidin-4-yl methanesulfonate199103-19-0

Elsewhere

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