[(2,6-Dimethylphenyl)amino](oxo)acetic acid

C₁₀H₁₁NO₃CAS 2903-48-2193.20 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₁₀H₁₁NO₃
Molar mass: 193.20 g/mol
Exact mass: 193.0739 Da
logP: 1.33Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2903-48-2

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(=O)O

InChIKey

JFTAPSBIODPQJN-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO3/c1-6-4-3-5-7(2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

1 names

2-(2,6-Dimethylphenylamino)-2-oxoacetic acid

Work with [(2,6-Dimethylphenyl)amino](oxo)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

7-Methylisatin1127-59-956 % similar N,N'-Bis(4-hydroxy-2,6-dimethylphenyl)ethanediamide1809288-95-647 % similar N-(2,6-Dimethylphenyl)thiourea6396-76-543 % similar ((5-Chloropyridin-2-yl)amino)(oxo)acetic acid552850-73-443 % similar 2,6-Dimethylbenzoic acid632-46-243 % similar 4-Bromo-7-methylisatin874375-17-440 % similar 2,3-Dioxoindoline-7-carboxylic acid25128-35-239 % similar 2,3-Dimethylbenzoic acid603-79-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Benzoyl-DL-alanine1205-02-3 Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-9 (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-7 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 (3R)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid152286-30-1 N-Acetyl-DL-phenylglycine15962-46-6 Actarit18699-02-0

Elsewhere

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