2-oxo-1-phenylpyrrolidine-3-carboxylic acid

C11H11NO3 — CID 3043762

IUPAC2-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C11H11NO3/c13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChIKeyKIXWRXJXMVUWCP-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.12
Rot. Bonds2

About 2-oxo-1-phenylpyrrolidine-3-carboxylic acid

2-oxo-1-phenylpyrrolidine-3-carboxylic acid (PubChem CID 3043762) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-oxo-1-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-phenylpyrrolidine-3-carboxylic acid
PubChem CID3043762
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C11H11NO3/c13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChIKeyKIXWRXJXMVUWCP-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-phenylpyrrolidine-3-carboxylic acid (CID 3043762) is 2-oxo-1-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-phenylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 2-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is KIXWRXJXMVUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15).
What are the key properties of 2-oxo-1-phenylpyrrolidine-3-carboxylic acid?
2-oxo-1-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3043762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).