Alpha-[[[(2-furanylcarbonyl)amino]carbonyl]amino]benzeneacetic acid

C₁₄H₁₂N₂O₅CAS 89307-25-5288.26 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Urea

Properties

Molecular formula: C₁₄H₁₂N₂O₅
Molar mass: 288.26 g/mol
Exact mass: 288.0746 Da
logP: 1.54Crippen estimate
Polar surface area: 108.6 Å²
H-bond donors / acceptors: 3 / 4
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

89307-25-5

SMILES

C1=CC=C(C=C1)C(C(=O)O)NC(=O)NC(=O)C2=CC=CO2

InChIKey

OHBHOADQJUEVFG-UHFFFAOYSA-N

InChI

InChI=1S/C14H12N2O5/c17-12(10-7-4-8-21-10)16-14(20)15-11(13(18)19)9-5-2-1-3-6-9/h1-8,11H,(H,18,19)(H2,15,16,17,20)

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Work with Alpha-[[[(2-furanylcarbonyl)amino]carbonyl]amino]benzeneacetic 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

Z-Phg-oh53990-33-344 % similar 2-Furancarboxylic acid hydrazide3326-71-442 % similar (R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine74927-72-342 % similar (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine90761-62-942 % similar Boc-D-phenylglycine33125-05-242 % similar tert-Butoxycarbonylamino-phenyl-acetic acid3601-66-942 % similar Diphenylacetic acid117-34-039 % similar Phenylmalonic acid2613-89-039 % similar

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

Elsewhere

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