(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid
Basic information
- CAS
4695-37-8- Standard SMILES
O=C(O)C(c1ccccc1)N1C(=O)c2ccccc2C1=O- InChIKey
SYEYVZOVGXYKBL-UHFFFAOYSA-N- Molecular formula
- C16H11NO4
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.06880783
Names & identifiers
- Preferred name
- (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid
- IUPAC
- 2-(1,3-dioxoisoindol-2-yl)-2-phenylacetic acid
Names & synonyms
4695-37-8(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid2-(1,3-Dioxoisoindolin-2-yl)-2-phenylacetic acid2-(1,3-dioxoisoindol-2-yl)-2-phenyl-acetic acid2-(1,3-dioxoisoindol-2-yl)-2-phenylacetic acid2-phthalimido-2-phenylacetic acidNSC117510phthalimidophenylacetic acidOprea1_187176Oprea1_826361MLS0012119422-(1,3-Dioxo-2-isoindolinyl)-2-phenylacetic Acid
Show more names
SCHEMBL6690737CHEMBL1881788alpha-phthalimidophenylacetic acidSYEYVZOVGXYKBL-UHFFFAOYSA-N(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-phenyl-acetic acidDTXSID801036276HMS2823B15MFCD00412223
Database identifiers
- CAS
4695-37-8- PubChem CID
- 272803
- DTXSID
DTXSID801036276- ChEMBL
CHEMBL1881788- Nikkaji
- J1.083.022B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Experimental & physicochemical properties
Solubility40.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
11 records
Compound notes
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