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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Related Compounds

2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
CID 117108583
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
1-[4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-1-yl]ethanone
CID 78940715
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 78939384
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
2-[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134615427
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117444326
2-[2-(2,3-dichlorophenyl)-5-fluorophenyl]-2-hydroxyacetic acid
CID 134633770

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).