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

C14H16FN3O4 — CID 119206131

IUPAC2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C14H16FN3O4/c1-2-17(8-12(19)20)13(21)10-7-9(3-4-11(10)15)18-6-5-16-14(18)22/h3-4,7H,2,5-6,8H2,1H3,(H,16,22)(H,19,20)
InChIKeyLJZFLTMDYUQPMP-UHFFFAOYSA-N
MW309.30 g/mol
LogP0.90
Rot. Bonds5

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

2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (PubChem CID 119206131) has the molecular formula C14H16FN3O4 and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
PubChem CID119206131
Molecular FormulaC14H16FN3O4
Molecular Weight309.30 g/mol
Exact Mass309.11
IUPAC Name2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C14H16FN3O4/c1-2-17(8-12(19)20)13(21)10-7-9(3-4-11(10)15)18-6-5-16-14(18)22/h3-4,7H,2,5-6,8H2,1H3,(H,16,22)(H,19,20)
InChIKeyLJZFLTMDYUQPMP-UHFFFAOYSA-N
XLogP0.90
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119205713
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid
CID 119226008
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825933
2-fluoro-N-methyl-5-(2-oxoimidazolidin-1-yl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613896
2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119433675
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid
CID 119192133
1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136516507
1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136526977
1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256811
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542844
(E)-2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120694260

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (CID 119206131) is 2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is LJZFLTMDYUQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4/c1-2-17(8-12(19)20)13(21)10-7-9(3-4-11(10)15)18-6-5-16-14(18)22/h3-4,7H,2,5-6,8H2,1H3,(H,16,22)(H,19,20).
What are the key properties of 2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 309.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119206131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).