3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

C13H12FNO5 — CID 57183007

IUPAC3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(O)c(F)c1)n1c(O)ccc1O
InChIInChI=1S/C13H12FNO5/c14-8-5-7(1-2-10(8)16)9(6-13(19)20)15-11(17)3-4-12(15)18/h1-5,9,16-18H,6H2,(H,19,20)
InChIKeyMZJCGNQGFRKIHF-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.81
Rot. Bonds4

About 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid (PubChem CID 57183007) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
PubChem CID57183007
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(O)c(F)c1)n1c(O)ccc1O
InChIInChI=1S/C13H12FNO5/c14-8-5-7(1-2-10(8)16)9(6-13(19)20)15-11(17)3-4-12(15)18/h1-5,9,16-18H,6H2,(H,19,20)
InChIKeyMZJCGNQGFRKIHF-UHFFFAOYSA-N
XLogP1.81
TPSA102.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 687945
3-(4-Hydroxyphenyl)-2-(1h-pyrrol-1-yl)propanoic acid
CID 184460
(2,5-Dihydroxypyrrol-1-yl) 3-(3-fluoro-4-hydroxyphenyl)propanoate
CID 54159161
tert-butyl-[(2R)-4-(2,5-dihydroxypyrrol-1-yl)oxy-1-(2-fluorophenyl)-4-oxobutan-2-yl]carbamic acid
CID 91030864
2-(2,5-Dihydroxypyrrol-1-yl)-4-fluorobenzoic acid
CID 123328528
(2,5-dihydroxypyrrol-1-yl) (3S,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 123367816
Methyl 2-[5-fluoro-6-(4-hydroxyphenyl)-2-pyridinyl]acetate
CID 172216652
Methyl 2-[3-fluoro-6-(4-hydroxyphenyl)-2-pyridinyl]acetate
CID 172216915
3,3'-[5-(4-methoxyphenyl)-1H-pyrrole-1,2-diyl]dipropanoic acid
CID 894283
CID 178270788
CID 178270788
3-[5-(4-Fluorophenyl)-1-(3-hydroxyphenyl)pyrrol-2-yl]propanoate
CID 4612306
3,3,3-Trifluoro-2-[(4-hydroxyphenyl)methyl]-2-pyrrol-1-ylpropanoic acid
CID 23088022

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid (CID 57183007) is 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid is O=C(O)CC(c1ccc(O)c(F)c1)n1c(O)ccc1O.
What is the InChIKey of 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid?
The InChIKey is MZJCGNQGFRKIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c14-8-5-7(1-2-10(8)16)9(6-13(19)20)15-11(17)3-4-12(15)18/h1-5,9,16-18H,6H2,(H,19,20).
What are the key properties of 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid?
3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid has a molecular weight of 281.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-fluoro-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 57183007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).