chempirical

Rg108

C19H14N2O4CAS 48208-26-0334.33 g/mol

Open in Covalent MOL file
ONONHOOH
AmideCarboxylic acidLactam

Properties

Molecular formula
C19H14N2O4
Molar mass
334.33 g/mol
Exact mass
334.0954 Da
logP
2.46Crippen estimate
Polar surface area
90.5 Ų
H-bond donors / acceptors
2 / 3
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
48208-26-0
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O
InChIKey
HPTXLHAHLXOAKV-UHFFFAOYSA-N
InChI
InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)

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Work with Rg108

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

N-Phthaloyl-(S)-phenylalanine5123-55-761 % similar Indole-3-lactic acid1821-52-960 % similar D-Tryptophan153-94-659 % similar (±)-Tryptophan54-12-659 % similar Tryptophan73-22-359 % similar N-Methyl-L-tryptophan526-31-856 % similar L-Tryptophyl-L-proline38136-75-354 % similar N-(Hydroxymethylidene)tryptophan16108-03-554 % similar

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

Elsewhere

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