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

C16H20FN3O4 — CID 119192133

IUPAC2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)O
InChIInChI=1S/C16H20FN3O4/c1-3-6-16(2,14(22)23)19-13(21)11-9-10(4-5-12(11)17)20-8-7-18-15(20)24/h4-5,9H,3,6-8H2,1-2H3,(H,18,24)(H,19,21)(H,22,23)
InChIKeyMXFBWYIMFHIMOW-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.73
Rot. Bonds6

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

2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid (PubChem CID 119192133) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid
PubChem CID119192133
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)O
InChIInChI=1S/C16H20FN3O4/c1-3-6-16(2,14(22)23)19-13(21)11-9-10(4-5-12(11)17)20-8-7-18-15(20)24/h4-5,9H,3,6-8H2,1-2H3,(H,18,24)(H,19,21)(H,22,23)
InChIKeyMXFBWYIMFHIMOW-UHFFFAOYSA-N
XLogP1.73
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
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]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid (CID 119192133) is 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)O.
What is the InChIKey of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid?
The InChIKey is MXFBWYIMFHIMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-3-6-16(2,14(22)23)19-13(21)11-9-10(4-5-12(11)17)20-8-7-18-15(20)24/h4-5,9H,3,6-8H2,1-2H3,(H,18,24)(H,19,21)(H,22,23).
What are the key properties of 2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid?
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid has a molecular weight of 337.35 g/mol, XLogP of 1.73, 6 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]-2-methylpentanoic acid is sourced from PubChem (CID 119192133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).