2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid

C11H9FN2O4 — CID 134494263

IUPAC2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
SMILESC[C@]1(c2ccc(C(=O)O)c(F)c2)NC(=O)NC1=O
InChIInChI=1S/C11H9FN2O4/c1-11(9(17)13-10(18)14-11)5-2-3-6(8(15)16)7(12)4-5/h2-4H,1H3,(H,15,16)(H2,13,14,17,18)/t11-/m1/s1
InChIKeyFKZDESBXPSKQSY-LLVKDONJSA-N
MW252.20 g/mol
LogP0.58
Rot. Bonds2

About 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid

2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid (PubChem CID 134494263) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
PubChem CID134494263
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
SMILESC[C@]1(c2ccc(C(=O)O)c(F)c2)NC(=O)NC1=O
InChIInChI=1S/C11H9FN2O4/c1-11(9(17)13-10(18)14-11)5-2-3-6(8(15)16)7(12)4-5/h2-4H,1H3,(H,15,16)(H2,13,14,17,18)/t11-/m1/s1
InChIKeyFKZDESBXPSKQSY-LLVKDONJSA-N
XLogP0.58
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid with MolForge

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Related Compounds

4-[(1S)-1-amino-1-carboxyethyl]benzoic acid;(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
CID 44275522
2-[4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]phenyl]benzoic acid
CID 44341651
2-[4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]nonan-1-yl)methyl]phenyl]benzoic acid
CID 44341650
4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 23136837
3-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 58719580
4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzoic acid
CID 2285221
4-[4-(2,5-Dioxoimidazolidin-4-yl)phenyl]benzoic acid
CID 57397337
4-[1-[2-(2,4-Difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
CID 155545645
4-{(E)-[1-(2-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoic acid
CID 2190839
4-{(E)-[1-(4-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoic acid
CID 1815132
3-Fluoro-2-(4-methyl-5-oxo-4-propan-2-ylimidazolidin-2-yl)benzoic acid
CID 13752223
3-fluoro-2-[(2S,4R)-4-methyl-5-oxo-4-propan-2-ylimidazolidin-2-yl]benzoic acid
CID 13752224

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid?
The IUPAC name of 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid (CID 134494263) is 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid is C[C@]1(c2ccc(C(=O)O)c(F)c2)NC(=O)NC1=O.
What is the InChIKey of 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid?
The InChIKey is FKZDESBXPSKQSY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9FN2O4/c1-11(9(17)13-10(18)14-11)5-2-3-6(8(15)16)7(12)4-5/h2-4H,1H3,(H,15,16)(H2,13,14,17,18)/t11-/m1/s1.
What are the key properties of 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid?
2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid has a molecular weight of 252.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid is sourced from PubChem (CID 134494263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).