2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetic acid

C₁₅H₁₄N₂O₅CAS 70785-61-4302.29 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Phenol

Properties

Molecular formula: C₁₅H₁₄N₂O₅
Molar mass: 302.29 g/mol
Exact mass: 302.0903 Da
logP: 0.94Crippen estimate
Polar surface area: 119.5 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4
Stereocentres: 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

70785-61-4

SMILES

CC1=CC(=O)C(=CN1)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)O

InChIKey

UNZMURWBBRKTNN-CYBMUJFWSA-N

InChI

InChI=1S/C15H14N2O5/c1-8-6-12(19)11(7-16-8)14(20)17-13(15(21)22)9-2-4-10(18)5-3-9/h2-7,13,18H,1H3,(H,16,19)(H,17,20)(H,21,22)/t13-/m1/s1

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Names and synonyms

1 names

(R)-2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetic acid

Work with 2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetic 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

4-Hydroxy-6-methyl-nicotinic acid67367-33-347 % similar Cefpiramide sodium74849-93-744 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-537 % similar (R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine74927-72-336 % similar (S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine90761-62-936 % similar 4-Hydroxymandelic acid1198-84-135 % similar D-P-Hydroxyphenylglycine22818-40-234 % similar Oxfenicine32462-30-934 % similar

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

Elsewhere

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