(RS)-1-[4-(3-fluoro-benzyloxy)-phenyl]-5-oxo-pyrrolidine-3-carboxylic acid methyl ester

HCID 68614055

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Basic information

Standard SMILES: COC(=O)C1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIKey: UBUBLQQZNPQHBG-UHFFFAOYSA-N
Molecular formula: C19H18FNO4
Average molar mass: 343.3 g/mol

Names & identifiers

Preferred name: (RS)-1-[4-(3-fluoro-benzyloxy)-phenyl]-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
IUPAC: methyl 1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate

Names & synonyms

SCHEMBL3363902UBUBLQQZNPQHBG-UHFFFAOYSA-N(RS)-1-[4-(3-fluoro-benzyloxy)-phenyl]-5-oxo-pyrrolidine-3-carboxylic acid methyl ester[rac] 1-[4-(3-fluoro-benzyloxy)-phenyl]-5-oxo-pyrrolidine-3-carboxylic acid methyl ester

Database identifiers

PubChem CID: 68614055

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 478

Related reactions

12 records

New reaction record

HRID 139764As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 145906As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 292120As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 311115As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1118490As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1142799As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1244550As reactantuspto-grants-2006_10

HRID 1244578As reactantuspto-grants-2006_10

Linked notes

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