2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid

C19H19NO3 — CID 11243805

IUPAC2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2C(=O)CCC2c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-13(19(22)23)14-7-9-16(10-8-14)20-17(11-12-18(20)21)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,22,23)
InChIKeyCGSOQDCJCHHZRF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.74
Rot. Bonds4

About 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid

2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid (PubChem CID 11243805) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid
PubChem CID11243805
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2C(=O)CCC2c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-13(19(22)23)14-7-9-16(10-8-14)20-17(11-12-18(20)21)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,22,23)
InChIKeyCGSOQDCJCHHZRF-UHFFFAOYSA-N
XLogP3.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid (CID 11243805) is 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(N2C(=O)CCC2c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid?
The InChIKey is CGSOQDCJCHHZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(19(22)23)14-7-9-16(10-8-14)20-17(11-12-18(20)21)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,22,23).
What are the key properties of 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid?
2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 11243805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).