2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid

C13H12FNO4 — CID 110458246

IUPAC2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)CC(Cc2ccccc2F)C1=O
InChIInChI=1S/C13H12FNO4/c14-10-4-2-1-3-8(10)5-9-6-11(16)15(13(9)19)7-12(17)18/h1-4,9H,5-7H2,(H,17,18)
InChIKeyXSXSLLCQFMWALI-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.83
Rot. Bonds4

About 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid

2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid (PubChem CID 110458246) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
PubChem CID110458246
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)CC(Cc2ccccc2F)C1=O
InChIInChI=1S/C13H12FNO4/c14-10-4-2-1-3-8(10)5-9-6-11(16)15(13(9)19)7-12(17)18/h1-4,9H,5-7H2,(H,17,18)
InChIKeyXSXSLLCQFMWALI-UHFFFAOYSA-N
XLogP0.83
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic 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

2-[3-[(2-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458252
2-[3-[(3,5-difluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458255
2-[3-[(3-chloro-4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458270
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
CID 71861614
(3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
CID 96529480
1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506746
1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79505964
2-[2-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]phenyl]acetic acid
CID 81318118
(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367911
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712
3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide
CID 98177833

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid (CID 110458246) is 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid is O=C(O)CN1C(=O)CC(Cc2ccccc2F)C1=O.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid?
The InChIKey is XSXSLLCQFMWALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c14-10-4-2-1-3-8(10)5-9-6-11(16)15(13(9)19)7-12(17)18/h1-4,9H,5-7H2,(H,17,18).
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid?
2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid has a molecular weight of 265.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 110458246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).