chempirical

1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid

C11H9NO4CAS 21860-84-4219.20 g/mol

Open in Covalent MOL file
OHONOO
AmideCarboxylic acidLactam

Properties

Molecular formula
C11H9NO4
Molar mass
219.20 g/mol
Exact mass
219.0532 Da
Melting point
164 °C
logP
0.76Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
21860-84-4
SMILES
CC(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIKey
OZWUITKBAWTEAQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO4/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14/h2-6H,1H3,(H,15,16)

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Names and synonyms

14 names · show all
  • 2H-Isoindole-2-acetic acid, 1,3-dihydro-α-methyl-1,3-dioxo-
  • 2-Isoindolineacetic acid, α-methyl-1,3-dioxo-
  • Alanine, N-phthaloyl-
  • 2-Phthalimidopropionic acid
  • 1,3-Dihydro-1,3-dioxo-α-methyl-2H-isoindole-2-acetic acid
  • N-Phthalyl-DL-alanine
  • N-Phthaloyl-DL-alanine
  • NSC 13404
  • 2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)propanoic acid
  • DL-N-Phthaloylalanine
  • 2-(1,3-Dioxoisoindolin-2-yl)propanoic acid
  • 2-Phthalimidopropanoic acid
  • 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
  • 2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

Work with 1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-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

Phthalimidopropiophenone19437-20-859 % similar N-Isopropylphthalimide304-17-658 % similar N-Phthaloyl-(S)-phenylalanine5123-55-756 % similar 2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)pentanedioic acid2301-52-254 % similar N-Phthaloyl-L-glutamic acid340-90-954 % similar N-Phthaloyl-L-glutamine3343-29-150 % similar N-Hydroxyphthalimide524-38-944 % similar N-Methylphthalimide550-44-744 % similar

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

Same formula

N-Carbethoxyphthalimide22509-74-6 N-Phthaloyl-β-alanine3339-73-9

Elsewhere

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