1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid

C13H15NO3 — CID 13361997

IUPAC1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)CC(C(=O)O)C1c1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-14-11(15)8-10(13(16)17)12(14)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,16,17)
InChIKeyZVWAUVOJMXWTPF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.68
Rot. Bonds3

About 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid

1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid (PubChem CID 13361997) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
PubChem CID13361997
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)CC(C(=O)O)C1c1ccccc1
InChIInChI=1S/C13H15NO3/c1-2-14-11(15)8-10(13(16)17)12(14)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,16,17)
InChIKeyZVWAUVOJMXWTPF-UHFFFAOYSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid (CID 13361997) is 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid is CCN1C(=O)CC(C(=O)O)C1c1ccccc1.
What is the InChIKey of 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is ZVWAUVOJMXWTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-14-11(15)8-10(13(16)17)12(14)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 13361997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).