2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid

C12H14FNO3 — CID 117350296

IUPAC2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)ccc1N1CCCC1
InChIInChI=1S/C12H14FNO3/c13-8-3-4-10(14-5-1-2-6-14)9(7-8)11(15)12(16)17/h3-4,7,11,15H,1-2,5-6H2,(H,16,17)
InChIKeyHSVSOMGRUBOHTO-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.54
Rot. Bonds3

About 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid

2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid (PubChem CID 117350296) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
PubChem CID117350296
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)ccc1N1CCCC1
InChIInChI=1S/C12H14FNO3/c13-8-3-4-10(14-5-1-2-6-14)9(7-8)11(15)12(16)17/h3-4,7,11,15H,1-2,5-6H2,(H,16,17)
InChIKeyHSVSOMGRUBOHTO-UHFFFAOYSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid (CID 117350296) is 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(F)ccc1N1CCCC1.
What is the InChIKey of 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid?
The InChIKey is HSVSOMGRUBOHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-8-3-4-10(14-5-1-2-6-14)9(7-8)11(15)12(16)17/h3-4,7,11,15H,1-2,5-6H2,(H,16,17).
What are the key properties of 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid?
2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid has a molecular weight of 239.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117350296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).