3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid

C11H12FNO3 — CID 67295500

IUPAC3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)C(c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-7(2-4-8)9-5-13(11(15)16)6-10(9)14/h1-4,9-10,14H,5-6H2,(H,15,16)
InChIKeySVXMSUKLZFTXNY-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.26
Rot. Bonds1

About 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid

3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 67295500) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID67295500
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)C(c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO3/c12-8-3-1-7(2-4-8)9-5-13(11(15)16)6-10(9)14/h1-4,9-10,14H,5-6H2,(H,15,16)
InChIKeySVXMSUKLZFTXNY-UHFFFAOYSA-N
XLogP1.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid (CID 67295500) is 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid is O=C(O)N1CC(O)C(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is SVXMSUKLZFTXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-3-1-7(2-4-8)9-5-13(11(15)16)6-10(9)14/h1-4,9-10,14H,5-6H2,(H,15,16).
What are the key properties of 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid?
3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67295500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).