2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

C14H16FNO3 — CID 63379294

IUPAC2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1C(=O)CC(C(=O)O)C1c1cccc(F)c1
InChIInChI=1S/C14H16FNO3/c1-8(2)16-12(17)7-11(14(18)19)13(16)9-4-3-5-10(15)6-9/h3-6,8,11,13H,7H2,1-2H3,(H,18,19)
InChIKeyZXBFIQIYLFHNOC-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.21
Rot. Bonds3

About 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 63379294) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID63379294
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1C(=O)CC(C(=O)O)C1c1cccc(F)c1
InChIInChI=1S/C14H16FNO3/c1-8(2)16-12(17)7-11(14(18)19)13(16)9-4-3-5-10(15)6-9/h3-6,8,11,13H,7H2,1-2H3,(H,18,19)
InChIKeyZXBFIQIYLFHNOC-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 63379294) is 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N1C(=O)CC(C(=O)O)C1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is ZXBFIQIYLFHNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-8(2)16-12(17)7-11(14(18)19)13(16)9-4-3-5-10(15)6-9/h3-6,8,11,13H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63379294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).