1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

C12H10FNO5 — CID 168691543

IUPAC1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)c1cccc(F)c1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H10FNO5/c13-8-3-1-2-7(12(18)19)10(8)14-5-6(11(16)17)4-9(14)15/h1-3,6H,4-5H2,(H,16,17)(H,18,19)
InChIKeyGIMXIFFPSCXYJQ-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.96
Rot. Bonds3

About 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691543) has the molecular formula C12H10FNO5 and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691543
Molecular FormulaC12H10FNO5
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)c1cccc(F)c1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H10FNO5/c13-8-3-1-2-7(12(18)19)10(8)14-5-6(11(16)17)4-9(14)15/h1-3,6H,4-5H2,(H,16,17)(H,18,19)
InChIKeyGIMXIFFPSCXYJQ-UHFFFAOYSA-N
XLogP0.96
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic 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

1-[2-fluoro-6-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691551
3-fluoro-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682246
4-(azepane-1-carbonyl)-1-(2,6-difluorophenyl)pyrrolidin-2-one
CID 113192284
3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816
1-(6-carboxy-2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691023
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-iodobenzoic acid
CID 168697535
1-(2,6-difluorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113192285
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
3-chloro-2-(4-chloro-2-oxopyrrolidin-1-yl)benzoic acid
CID 168688895
1-[2-(aminomethyl)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691423
1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691617

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691543) is 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)c1cccc(F)c1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GIMXIFFPSCXYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5/c13-8-3-1-2-7(12(18)19)10(8)14-5-6(11(16)17)4-9(14)15/h1-3,6H,4-5H2,(H,16,17)(H,18,19).
What are the key properties of 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 267.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).