Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
Basic information
- CAS
3005-63-8- Standard SMILES
CCOC(=O)C1(C(=O)OCC)C(c2ccccc2)CC(O)N1C(C)=O- InChIKey
QNERVFMVXCWNMB-UHFFFAOYSA-N- Molecular formula
- C18H23NO6
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.15253745
Names & identifiers
- Preferred name
- Diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
- IUPAC
- diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
Names & synonyms
diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate3005-63-8SMR000039925MLS000069255CBMicro_001790Oprea1_542108MLS002581167SCHEMBL830017CHEMBL1900508QNERVFMVXCWNMB-UHFFFAOYSA-NDTXSID801159226HMS2640M23
Show more names
SMSF0015977STK824459AKOS005608339CB03582NCGC00018790-02BIM-0001901.P001SR-01000000745SR-01000000745-2
Database identifiers
- CAS
3005-63-8- PubChem CID
- 658963
- DTXSID
DTXSID801159226- ChEMBL
CHEMBL1900508- Nikkaji
- J274.318C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
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Related reactions
3 records
Compound notes
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