Basic information
- CAS
64505-33-5- Standard SMILES
CCOC(=O)CN1C(=O)CC(c2ccccc2)C1=O- InChIKey
LQPWQTIFRJRHIE-UHFFFAOYSA-N- Molecular formula
- C14H15NO4
- Average molar mass
- 261.27 g/mol
- Monoisotopic mass
- 261.10010796
Names & identifiers
- Preferred name
- Acetic acid, 2-(2-phenylsuccinimido)-, ethyl ester
- IUPAC
- ethyl 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)acetate
Names & synonyms
64505-33-5ACETIC ACID, 2-(2-PHENYLSUCCINIMIDO)-, ETHYL ESTERRefChem:1075718ethyl 2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)acetateethyl (2,5-dioxo-3-phenylpyrrolidin-1-yl)acetate1-Pyrrolidineaceticacid, 2,5-dioxo-3-phenyl-, ethyl ester2-(2-Phenylsuccinimido)acetic acid ethyl esterEthyl 2-(2-phenylsuccinimido)acetate1-Pyrrolidineacetic acid, 2,5-dioxo-3-phenyl-, ethyl esterChemDiv2_000637Oprea1_082112Oprea1_559338
Show more names
MLS001211167CHEMBL1902808DTXSID70983073HMS1370M21HMS2842P05(2,5-Dioxo-3-phenyl-pyrrolidin-1-yl)-acetic acid ethyl esterSTK091850AKOS000545505
Database identifiers
- CAS
64505-33-5- PubChem CID
- 47404
- DTXSID
DTXSID70983073- ChEMBL
CHEMBL1902808- Nikkaji
- J86.270C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
Solubility>39.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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