1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H12FNO4 — CID 2774420

IUPAC1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO4/c13-8-3-1-7(2-4-8)11(16)14-6-9(15)5-10(14)12(17)18/h1-4,9-10,15H,5-6H2,(H,17,18)
InChIKeyZQKMWRGUSKTUKM-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.49
Rot. Bonds2

About 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 2774420) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID2774420
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO4/c13-8-3-1-7(2-4-8)11(16)14-6-9(15)5-10(14)12(17)18/h1-4,9-10,15H,5-6H2,(H,17,18)
InChIKeyZQKMWRGUSKTUKM-UHFFFAOYSA-N
XLogP0.49
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 2774420) is 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ZQKMWRGUSKTUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4/c13-8-3-1-7(2-4-8)11(16)14-6-9(15)5-10(14)12(17)18/h1-4,9-10,15H,5-6H2,(H,17,18).
What are the key properties of 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2774420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).