5-fluoro-3-formamido-4-oxopentanoic acid

C6H8FNO4 — CID 142181873

IUPAC5-fluoro-3-formamido-4-oxopentanoic acid
SMILESO=CNC(CC(=O)O)C(=O)CF
InChIInChI=1S/C6H8FNO4/c7-2-5(10)4(8-3-9)1-6(11)12/h3-4H,1-2H2,(H,8,9)(H,11,12)
InChIKeyOJUYVVFMKFOPAK-UHFFFAOYSA-N
MW177.13 g/mol
LogP-0.89
Rot. Bonds6

About 5-fluoro-3-formamido-4-oxopentanoic acid

5-fluoro-3-formamido-4-oxopentanoic acid (PubChem CID 142181873) has the molecular formula C6H8FNO4 and a molecular weight of 177.13 g/mol. Its IUPAC name is 5-fluoro-3-formamido-4-oxopentanoic acid.

Molecular Properties

Compound Name5-fluoro-3-formamido-4-oxopentanoic acid
PubChem CID142181873
Molecular FormulaC6H8FNO4
Molecular Weight177.13 g/mol
Exact Mass177.04
IUPAC Name5-fluoro-3-formamido-4-oxopentanoic acid
SMILESO=CNC(CC(=O)O)C(=O)CF
InChIInChI=1S/C6H8FNO4/c7-2-5(10)4(8-3-9)1-6(11)12/h3-4H,1-2H2,(H,8,9)(H,11,12)
InChIKeyOJUYVVFMKFOPAK-UHFFFAOYSA-N
XLogP-0.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-formamido-4-oxopentanoic acid?
The IUPAC name of 5-fluoro-3-formamido-4-oxopentanoic acid (CID 142181873) is 5-fluoro-3-formamido-4-oxopentanoic acid.
What is the SMILES notation for 5-fluoro-3-formamido-4-oxopentanoic acid?
The canonical SMILES for 5-fluoro-3-formamido-4-oxopentanoic acid is O=CNC(CC(=O)O)C(=O)CF.
What is the InChIKey of 5-fluoro-3-formamido-4-oxopentanoic acid?
The InChIKey is OJUYVVFMKFOPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO4/c7-2-5(10)4(8-3-9)1-6(11)12/h3-4H,1-2H2,(H,8,9)(H,11,12).
What are the key properties of 5-fluoro-3-formamido-4-oxopentanoic acid?
5-fluoro-3-formamido-4-oxopentanoic acid has a molecular weight of 177.13 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-formamido-4-oxopentanoic acid is sourced from PubChem (CID 142181873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).