cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
Basic information
- CAS
32225-57-3- Standard SMILES
N#CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O- InChIKey
REWDDNAJJLCTMA-INIZCTEOSA-N- Molecular formula
- C19H14N2O4
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.09535693
Names & identifiers
- Preferred name
- cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
- IUPAC
- cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
Names & synonyms
cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoateMLS001172468CHEMBL2137949DTXSID201331444HMS1725F03HMS2885K22AKOS03482661232225-57-3SMR000588551Z56945684Cyanomethyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoate
Database identifiers
- CAS
32225-57-3- PubChem CID
- 2397430
- DTXSID
DTXSID201331444- ChEMBL
CHEMBL2137949
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 563
Experimental & physicochemical properties
Solubility47.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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