N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid

C₁₂H₁₅NO₆SCAS 4816-80-2301.31 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfonamide

Properties

Molecular formula: C₁₂H₁₅NO₆S
Molar mass: 301.31 g/mol
Exact mass: 301.0620 Da
Melting point: 131 °C
logP: 0.59Crippen estimate
Polar surface area: 120.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

4816-80-2

SMILES

Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

InChIKey

KKOZKXBAPIYWAT-JTQLQIEISA-N

InChI

InChI=1S/C12H15NO6S/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1

Weigh it out

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

Names and synonyms

12 names

L-Glutamic acid, N-[(4-methylphenyl)sulfonyl]-
Glutamic acid, N-(p-tolylsulfonyl)-, L-
Glutamic acid, N-(p-tolylsulfonyl)-
p-Toluenesulfonyl-L-glutamic acid
N-Tosyl-L-glutamic acid
Tosylglutamic acid
(+)-p-Toluenesulfonylglutamic acid
N-p-Tolylsulfonyl-L-glutamic acid
NSC 109186
(+)-N-Tosyl-L-glutamic acid
(S)-2-[[[4-Methylphenyl)sulfonyl]amino]pentanedioic acid
(2S)-2-(4-Methylbenzenesulfonamido)pentanedioic acid

Work with N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid

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

Tos-arg-oh1159-15-563 % similar N-[(4-Methylphenyl)sulfonyl]glycine1080-44-055 % similar N-Cyclohexyl-4-toluenesulfonamide80-30-848 % similar N-Methyl-L-glutamic acid35989-16-348 % similar Carbamylglutamic acid1188-38-146 % similar 2-[(4-Methylphenyl)sulfonyl]acetic acid3937-96-046 % similar Tosyl-L-lysine chloromethyl ketone2364-87-646 % similar Tosylurea1694-06-045 % similar

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

Elsewhere

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