1-Benzyl-5-oxopyrrolidine-2-carboxylic acid

HCID 322802

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)C1CCC(=O)N1Cc1ccccc1
InChIKey: MOHLVDJRXGVGOM-UHFFFAOYSA-N
Molecular formula: C12H13NO3
Average molar mass: 219.24 g/mol

Names & identifiers

Preferred name: 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid
IUPAC: 1-benzyl-5-oxopyrrolidine-2-carboxylic acid

Names & synonyms

1-benzyl-5-oxopyrrolidine-2-carboxylic acid78964-11-1MFCD10004436NSC281027SCHEMBL288652MOHLVDJRXGVGOM-UHFFFAOYSA-NSBB053418AKOS012172321NSC-281027NS-02596DB-3633201-Benzyl-5-oxo-2-pyrrolidinecarboxylic acid

Show more names

5-oxo-1-benzylpyrrolidine-2-carboxylic acid1-benzyl-5-oxo-pyrrolidine-2-carboxylic acid

Database identifiers

PubChem CID: 322802
Nikkaji: J1.826.219C

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 284

Related reactions

13 records

New reaction record

HRID 87180As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 289022As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 294352As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 665395As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 686296As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 961476As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1207085As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1216556As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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