3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid

C16H20FN3O4 — CID 119215815

IUPAC3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C16H20FN3O4/c1-3-16(2,9-13(21)22)19-14(23)11-8-10(4-5-12(11)17)20-7-6-18-15(20)24/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,24)(H,19,23)(H,21,22)
InChIKeyFZXCLLLTAPFXIA-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.73
Rot. Bonds6

About 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid

3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid (PubChem CID 119215815) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid
PubChem CID119215815
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C16H20FN3O4/c1-3-16(2,9-13(21)22)19-14(23)11-8-10(4-5-12(11)17)20-7-6-18-15(20)24/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,24)(H,19,23)(H,21,22)
InChIKeyFZXCLLLTAPFXIA-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 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid?
The IUPAC name of 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid (CID 119215815) is 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid is CCC(C)(CC(=O)O)NC(=O)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid?
The InChIKey is FZXCLLLTAPFXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-3-16(2,9-13(21)22)19-14(23)11-8-10(4-5-12(11)17)20-7-6-18-15(20)24/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,24)(H,19,23)(H,21,22).
What are the key properties of 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid?
3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-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 3-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 119215815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).