2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic acid

C₁₇H₁₆N₂O₃CAS 215543-92-3296.33 g/mol

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Alkene Carboxylic acid

Properties

Molecular formula: C₁₇H₁₆N₂O₃
Molar mass: 296.33 g/mol
Exact mass: 296.1161 Da
logP: 3.48Crippen estimate
Polar surface area: 85.7 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 4

Identifiers

CAS number

215543-92-3

SMILES

Cc1c[nH]c(C=C2C(O)=Nc3ccccc32)c1CCC(=O)O

InChIKey

JNDVEAXZWJIOKB-UHFFFAOYSA-N

InChI

InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)

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Names and synonyms

3 names

1H-Pyrrole-3-propanoic acid, 2-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-
SU 5402
3-[3-(2-Carboxyethyl)-4-methylpyrrol-2-methylidenyl]-2-indolinone

Work with 2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic 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

Orantinib252916-29-368 % similar Semaxinib204005-46-952 % similar 1H-Indole-3-propanoic acid830-96-638 % similar Methylhippuric acid42013-20-735 % similar Indole-3-butyric acid133-32-434 % similar 3-(4-Methylphenyl)propionic acid1505-50-632 % similar (2-Methylphenyl)acetic acid644-36-032 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-431 % similar

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

Same formula

4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-7 Eslicarbazepine acetate236395-14-5

Elsewhere

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