2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)pentanedioic acid

C13H11NO6CAS 2301-52-2277.23 g/mol

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AmideCarboxylic acidLactam

Properties

Molecular formula
C13H11NO6
Molar mass
277.23 g/mol
Exact mass
277.0586 Da
Melting point
189–190 °C
logP
0.60Crippen estimate
Polar surface area
112.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number
2301-52-2
SMILES
O=C(O)CCC(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIKey
FEFFSKLJNYRHQN-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)

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

Names and synonyms

12 names
  • Pentanedioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
  • Glutaric acid, 2-phthalimido-
  • 2-Phthalimidoglutaric acid
  • Ba 2733
  • DL-2-Phthalimidoglutaric acid
  • 2-Phthalimido-DL-glutaric acid
  • NSC 120849
  • NSC 43131
  • 2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanedioic acid
  • 2-(1,3-Dioxoisoindol-2-yl)pentanedioic acid
  • 2-(1,3-Dioxoisoindolin-2-yl)pentanedioic acid
  • N-Phthaloyl-DL-glutamic acid

Work with 2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)pentanedioic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Phthaloyl-L-glutamic acid340-90-9Defined stereoisomer

Similar compounds

N-Phthaloyl-L-glutamine3343-29-173 % similar N-Phthaloyl-(S)-phenylalanine5123-55-765 % similar Thalidomide50-35-156 % similar N-Phthaloyl-β-alanine3339-73-955 % similar 1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-454 % similar Pht-ala-oh4192-28-354 % similar 4-Phthalimidobutyric acid3130-75-452 % similar Rg10848208-26-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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