1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid

C18H16FNO4 — CID 69341611

IUPAC1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccccc2)C(=O)C1(O)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO4/c19-14-8-6-13(7-9-14)18(24)15(16(21)22)11-20(17(18)23)10-12-4-2-1-3-5-12/h1-9,15,24H,10-11H2,(H,21,22)
InChIKeyNWPFGDOOMVEIMW-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.76
Rot. Bonds4

About 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid

1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 69341611) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid
PubChem CID69341611
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccccc2)C(=O)C1(O)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO4/c19-14-8-6-13(7-9-14)18(24)15(16(21)22)11-20(17(18)23)10-12-4-2-1-3-5-12/h1-9,15,24H,10-11H2,(H,21,22)
InChIKeyNWPFGDOOMVEIMW-UHFFFAOYSA-N
XLogP1.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid (CID 69341611) is 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccccc2)C(=O)C1(O)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NWPFGDOOMVEIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c19-14-8-6-13(7-9-14)18(24)15(16(21)22)11-20(17(18)23)10-12-4-2-1-3-5-12/h1-9,15,24H,10-11H2,(H,21,22).
What are the key properties of 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid?
1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 329.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)-4-hydroxy-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 69341611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).