2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid

C12H11FN2O4 — CID 176508898

IUPAC2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C12H11FN2O4/c13-9-6-8(2-1-7(9)5-11(17)18)15-4-3-10(16)14-12(15)19/h1-2,6H,3-5H2,(H,17,18)(H,14,16,19)
InChIKeyPBYHSPUTSIDCSI-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.90
Rot. Bonds3

About 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid

2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid (PubChem CID 176508898) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid
PubChem CID176508898
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C12H11FN2O4/c13-9-6-8(2-1-7(9)5-11(17)18)15-4-3-10(16)14-12(15)19/h1-2,6H,3-5H2,(H,17,18)(H,14,16,19)
InChIKeyPBYHSPUTSIDCSI-UHFFFAOYSA-N
XLogP0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]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

1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 170914337
1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione
CID 162507506
2-[6-(2,4-dioxo-1,3-diazinan-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid
CID 175526670
7-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 170350197
4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 23023749
1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
CID 163231111
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
CID 166947284
2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-1-yl]acetic acid
CID 166900322
2-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoic acid
CID 175752209
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 79777682
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
2-[1-[2-cyano-4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]-4-hydroxypiperidin-4-yl]acetic acid
CID 156505870

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid (CID 176508898) is 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid is O=C(O)Cc1ccc(N2CCC(=O)NC2=O)cc1F.
What is the InChIKey of 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid?
The InChIKey is PBYHSPUTSIDCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c13-9-6-8(2-1-7(9)5-11(17)18)15-4-3-10(16)14-12(15)19/h1-2,6H,3-5H2,(H,17,18)(H,14,16,19).
What are the key properties of 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid?
2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid has a molecular weight of 266.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluorophenyl]acetic acid is sourced from PubChem (CID 176508898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).