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

C₁₃H₁₁NO₆CAS 2301-52-2277.23 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam

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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

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

11 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

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

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 4-Phthalimidobutyric acid3130-75-452 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-051 % similar N-Phthaloylglycine4702-13-050 % similar

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

Same formula

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

Elsewhere

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