Cas no 5115-65-1 (2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid)

2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid structure
5115-65-1 structure
Product Name:2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid
CAS No:5115-65-1
MF:C13H13NO4
MW:247.246623754501
MDL:MFCD00043587
CID:373462
PubChem ID:138417
Update Time:2025-04-19

2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid Chemical and Physical Properties

Names and Identifiers

    • 2H-Isoindole-2-aceticacid, 1,3-dihydro-a-(1-methylethyl)-1,3-dioxo-
    • 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-3-METHYLBUTANOIC ACID
    • Phthaloyl-DL-Valine
    • 2-(1,3-diketoisoindolin-2-yl)-3-methyl-butyric acid
    • 2-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-3-METHYL-BUTYRIC ACID
    • 3-Methyl-2-(phthalimido)butanoic acid
    • IFLAB-BB F0827-0161
    • N-(DL)phthaloylvaline
    • N,N-phthaloyl-DL-valine
    • N-phthaloyl-DL-valine
    • N-phthaloylvaline
    • N-Phthalyl-DL-valine
    • PHT-DL-VAL-OH
    • PHTHALYL-DL-VALINE
    • phthalylvaline
    • rac-phthalylvalin
    • 1,3-Dihydro-1,3-dioxo-alpha-isopropyl-2H-isoindole-2-acetic acid
    • 2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-methylbutanoic acid
    • NSC 27515
    • PB43193
    • HMS1548D01
    • NCI60_002238
    • FT-0679556
    • 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid
    • 19506-85-5
    • MFCD00191000
    • FS-4367
    • F0827-0161
    • UUIPGCXIZVZSEC-UHFFFAOYSA-N
    • N-(1-Carboxy-2-methylpropyl)phthalimide
    • CS-0372490
    • 2-(1,3-dioxoisoindol-2-yl)-3-methyl-butanoic acid
    • SR-01000390314
    • 2H-Isoindole-2-acetic acid,3-dihydro-.alpha.-(1-methylethyl)-1,3-dioxo-
    • 2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanoic acid
    • Z56175260
    • A871356
    • 2H-Isoindole-2-acetic acid, 1,3-dihydro-.alpha.-(1-methylethyl)-1,3-dioxo-, (S)-
    • AKOS000114636
    • 2-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIO)SUCCINICACID
    • 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoic acid
    • AKOS016040457
    • (2S)-2-(1,3-Dioxoisoindolin-2-yl)-3-methyl-butanoic acid
    • 2-Isoindolineacetic acid, 1,3-dioxo-.alpha.-isopropyl-, l-,
    • 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid
    • N-phthalyl valine
    • SB65571
    • DTXSID00965423
    • FT-0698713
    • EU-0033596
    • NSC-27515
    • SY264512
    • 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid #
    • SB64541
    • 5115-65-1
    • EN300-00232
    • 2H-Isoindole-2-acetic acid, 1,3-dihydro-.alpha.-(1-methylethyl)-1,3-dioxo-
    • N-Phthaloyl-L-valine
    • SCHEMBL511872
    • E82764
    • NSC27515
    • CHEMBL1998126
    • MFCD00043587
    • TimTec1_004995
    • Oprea1_618998
    • 2-Isoindolineacetic acid, .alpha.-isopropyl-1,3-dioxo-
    • SR-01000390314-1
    • NSC 22912
    • 2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-(1-methylethyl)-1,3-dioxo-
    • BBL002517
    • ALBB-009411
    • STK387388
    • (R)-2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanoic acid
    • 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid
    • MDL: MFCD00043587
    • Inchi: 1S/C13H13NO4/c1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16/h3-7,10H,1-2H3,(H,17,18)
    • InChI Key: UUIPGCXIZVZSEC-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(N1C(C(=O)O)C(C)C)=O

Computed Properties

  • Exact Mass: 247.08449
  • Monoisotopic Mass: 247.084458
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 367
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 74.7
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.353
  • PSA: 74.68

2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid Pricemore >>

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