5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid

C13H15NO3 — CID 616196

IUPAC5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccc1)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)
InChIKeyCFGKWSDAMXTRHE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.68
Rot. Bonds3

About 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 616196) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
PubChem CID616196
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccc1)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)
InChIKeyCFGKWSDAMXTRHE-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 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid (CID 616196) is 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid is CC(c1ccccc1)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CFGKWSDAMXTRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17).
What are the key properties of 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(1-phenylethyl)pyrrolidine-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 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 616196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).