2-(3,4-Dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C₁₂H₁₅NO₄SCAS 72678-92-3269.31 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Secondary amine Sulfide

Properties

Molecular formula: C₁₂H₁₅NO₄S
Molar mass: 269.31 g/mol
Exact mass: 269.0722 Da
logP: 1.49Crippen estimate
Polar surface area: 67.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

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

72678-92-3

SMILES

COC1=C(C=C(C=C1)C2NC(CS2)C(=O)O)OC

InChIKey

VVYKDOVBUSRSCZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO4S/c1-16-9-4-3-7(5-10(9)17-2)11-13-8(6-18-11)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15)

Weigh it out

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Work with 2-(3,4-Dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic 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

2-Phenylthiazolidine-4-carboxylic acid42607-21-659 % similar 2-(2-Thienyl)-4-thiazolidinecarboxylic acid32451-19-748 % similar 3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34840-85-248 % similar 3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34841-09-348 % similar (3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-046 % similar 3-Methoxy-O-methyl-L-tyrosine32161-30-145 % similar (S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid55-59-445 % similar Vanillylmandelic acid2394-20-943 % similar

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

Same formula

Tos-pro-oh51077-01-1

Elsewhere

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