chempirical

N-Phthaloyl-β-alanine

C11H9NO4CAS 3339-73-9219.20 g/mol

Open in Covalent MOL file
OOHNOO
AmideCarboxylic acidLactam

Properties

Molecular formula
C11H9NO4
Molar mass
219.20 g/mol
Exact mass
219.0532 Da
Melting point
150–151 °C
logP
0.76Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
3339-73-9
SMILES
O=C(O)CCN1C(=O)c2ccccc2C1=O
InChIKey
DXXHRZUOTPMGEH-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h1-4H,5-6H2,(H,13,14)

Weigh it out

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

Names and synonyms

17 names · show all
  • 2H-Isoindole-2-propanoic acid, 1,3-dihydro-1,3-dioxo-
  • 2-Isoindolinepropionic acid, 1,3-dioxo-
  • 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-propanoic acid
  • β-Alanine, N-phthaloyl-
  • 1,3-Dioxo-2-isoindolinepropionic acid
  • 3-Phthalimidopropionic acid
  • β-Phthalimidopropionic acid
  • β-(N-Phthalimido)propionic acid
  • Phthalimido-β-alanine
  • NSC 401084
  • 3-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)propanoic acid
  • 3-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)propionic Acid
  • 3-Phthalimidoylpropionic acid
  • 3-Phthalimidopropanoic acid
  • 3-(1,3-Dioxoisoindolin-2-yl)propanoic acid
  • 3-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
  • 3-(1,3-Dioxoisoindol-2-yl)propanoic acid

Work with N-Phthaloyl-β-alanine

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-Phthalimidobutyric acid3130-75-481 % similar N-Phthaloylglycine4702-13-069 % similar N-(2-Hydroxyethyl)phthalimide3891-07-461 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-357 % similar 2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)pentanedioic acid2301-52-255 % similar N-Phthaloyl-L-glutamic acid340-90-955 % similar N-(Hydroxymethyl)phthalimide118-29-655 % similar N-Butylphthalimide1515-72-653 % similar

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

Same formula

1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-4 N-Carbethoxyphthalimide22509-74-6

Elsewhere

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