2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

C12H12FN3O4 — CID 119171429

IUPAC2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C12H12FN3O4/c13-9-2-1-7(16-4-3-14-12(16)20)5-8(9)11(19)15-6-10(17)18/h1-2,5H,3-4,6H2,(H,14,20)(H,15,19)(H,17,18)
InChIKeyYVPZQHMHBGQJFG-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.17
Rot. Bonds4

About 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (PubChem CID 119171429) has the molecular formula C12H12FN3O4 and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
PubChem CID119171429
Molecular FormulaC12H12FN3O4
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C12H12FN3O4/c13-9-2-1-7(16-4-3-14-12(16)20)5-8(9)11(19)15-6-10(17)18/h1-2,5H,3-4,6H2,(H,14,20)(H,15,19)(H,17,18)
InChIKeyYVPZQHMHBGQJFG-UHFFFAOYSA-N
XLogP0.17
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119433675
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542844
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119206131
N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 167938598
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537575
4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229675
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid
CID 119192133
(E)-2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120694260
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119459042
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (CID 119171429) is 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is YVPZQHMHBGQJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4/c13-9-2-1-7(16-4-3-14-12(16)20)5-8(9)11(19)15-6-10(17)18/h1-2,5H,3-4,6H2,(H,14,20)(H,15,19)(H,17,18).
What are the key properties of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 281.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119171429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).