2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid

C14H16FN3O4 — CID 119209151

IUPAC2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C14H16FN3O4/c1-8(13(20)21)17(2)12(19)10-7-9(3-4-11(10)15)18-6-5-16-14(18)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,22)(H,20,21)
InChIKeySSMJOJRKXIWFIN-UHFFFAOYSA-N
MW309.30 g/mol
LogP0.90
Rot. Bonds4

About 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid

2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid (PubChem CID 119209151) has the molecular formula C14H16FN3O4 and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
PubChem CID119209151
Molecular FormulaC14H16FN3O4
Molecular Weight309.30 g/mol
Exact Mass309.11
IUPAC Name2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C14H16FN3O4/c1-8(13(20)21)17(2)12(19)10-7-9(3-4-11(10)15)18-6-5-16-14(18)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,22)(H,20,21)
InChIKeySSMJOJRKXIWFIN-UHFFFAOYSA-N
XLogP0.90
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid (CID 119209151) is 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid?
The InChIKey is SSMJOJRKXIWFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4/c1-8(13(20)21)17(2)12(19)10-7-9(3-4-11(10)15)18-6-5-16-14(18)22/h3-4,7-8H,5-6H2,1-2H3,(H,16,22)(H,20,21).
What are the key properties of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid?
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid has a molecular weight of 309.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 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]-methylamino]propanoic acid is sourced from PubChem (CID 119209151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).