(2R,3R)-Tartranilic acid

C₁₀H₁₁NO₅CAS 3019-58-7225.20 g/mol

Open in Covalent MOL file

Alcohol Amide Carboxylic acid

Properties

Molecular formula: C₁₀H₁₁NO₅
Molar mass: 225.20 g/mol
Exact mass: 225.0637 Da
logP: -0.57Crippen estimate
Polar surface area: 106.9 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4
Stereocentres: R, 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

3019-58-7

SMILES

C1=CC=C(C=C1)NC(=O)[C@@H]([C@H](C(=O)O)O)O

InChIKey

ZWXNRJCDXZFNLJ-HTQZYQBOSA-N

InChI

InChI=1S/C10H11NO5/c12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,11,14)(H,15,16)/t7-,8-/m1/s1

Weigh it out

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

Work with (2R,3R)-Tartranilic 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

3-Amino-2-hydroxy-4-phenylbutanoic acid59554-14-249 % similar (2R,3S)-3-Phenylisoserine136561-53-049 % similar DL-Tartaric acid133-37-947 % similar D-Tartaric acid147-71-747 % similar 2,3-Dihydroxybutanedioic acid526-83-047 % similar Tartaric acid87-69-447 % similar (2R,3S)-3-Phenylisoserine hydrochloride132201-32-245 % similar (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-544 % similar

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

Same formula

3-Nitro-4-propoxybenzoic acid35288-44-9 1-(4,5-Dimethoxy-2-nitrophenyl)ethanone4101-32-0 2-(((Benzyloxy)carbonyl)amino)-2-hydroxyacetic acid56538-57-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook