2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate

C14H11FNO5- — CID 6943623

IUPAC2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
SMILESCC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1F
InChIInChI=1S/C14H12FNO5/c1-7(17)11-12(8-4-2-3-5-9(8)15)16(6-10(18)19)14(21)13(11)20/h2-5,12,20H,6H2,1H3,(H,18,19)/p-1/t12-/m0/s1
InChIKeyVEPGUGQACYDATA-LBPRGKRZSA-M
MW292.24 g/mol
LogP-0.14
Rot. Bonds4

About 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate

2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate (PubChem CID 6943623) has the molecular formula C14H11FNO5- and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate.

Molecular Properties

Compound Name2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
PubChem CID6943623
Molecular FormulaC14H11FNO5-
Molecular Weight292.24 g/mol
Exact Mass292.06
IUPAC Name2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
SMILESCC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1F
InChIInChI=1S/C14H12FNO5/c1-7(17)11-12(8-4-2-3-5-9(8)15)16(6-10(18)19)14(21)13(11)20/h2-5,12,20H,6H2,1H3,(H,18,19)/p-1/t12-/m0/s1
InChIKeyVEPGUGQACYDATA-LBPRGKRZSA-M
XLogP-0.14
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate 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

(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7274462
4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]butanoic acid
CID 3265466
(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7274460
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 673032
(2R)-3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1153217
(2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 7306161
3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 3762892
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 780369
2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
CID 7307909
3-[(2R)-3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]propanoate
CID 6922872
2-[3-acetyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 44825093
(2R)-1-benzyl-3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 981031

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate?
The IUPAC name of 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate (CID 6943623) is 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate.
What is the SMILES notation for 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate?
The canonical SMILES for 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate is CC(=O)C1=C(O)C(=O)N(CC(=O)[O-])[C@H]1c1ccccc1F.
What is the InChIKey of 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate?
The InChIKey is VEPGUGQACYDATA-LBPRGKRZSA-M. The full InChI is InChI=1S/C14H12FNO5/c1-7(17)11-12(8-4-2-3-5-9(8)15)16(6-10(18)19)14(21)13(11)20/h2-5,12,20H,6H2,1H3,(H,18,19)/p-1/t12-/m0/s1.
What are the key properties of 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate?
2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate has a molecular weight of 292.24 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate is sourced from PubChem (CID 6943623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).