(4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid

C4H7FNO6P — CID 122515579

IUPAC(4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid
SMILESO=C1C(F)C(O)C(P(=O)(O)O)N1O
InChIInChI=1S/C4H7FNO6P/c5-1-2(7)4(13(10,11)12)6(9)3(1)8/h1-2,4,7,9H,(H2,10,11,12)
InChIKeyUBCAVWHLWBNRTA-UHFFFAOYSA-N
MW215.07 g/mol
LogP-1.58
Rot. Bonds1

About (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid

(4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid (PubChem CID 122515579) has the molecular formula C4H7FNO6P and a molecular weight of 215.07 g/mol. Its IUPAC name is (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid.

Molecular Properties

Compound Name(4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid
PubChem CID122515579
Molecular FormulaC4H7FNO6P
Molecular Weight215.07 g/mol
Exact Mass215.00
IUPAC Name(4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid
SMILESO=C1C(F)C(O)C(P(=O)(O)O)N1O
InChIInChI=1S/C4H7FNO6P/c5-1-2(7)4(13(10,11)12)6(9)3(1)8/h1-2,4,7,9H,(H2,10,11,12)
InChIKeyUBCAVWHLWBNRTA-UHFFFAOYSA-N
XLogP-1.58
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.07
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid?
The IUPAC name of (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid (CID 122515579) is (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid.
What is the SMILES notation for (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid?
The canonical SMILES for (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid is O=C1C(F)C(O)C(P(=O)(O)O)N1O.
What is the InChIKey of (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid?
The InChIKey is UBCAVWHLWBNRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FNO6P/c5-1-2(7)4(13(10,11)12)6(9)3(1)8/h1-2,4,7,9H,(H2,10,11,12).
What are the key properties of (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid?
(4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid has a molecular weight of 215.07 g/mol, XLogP of -1.58, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,3-dihydroxy-5-oxopyrrolidin-2-yl)phosphonic acid is sourced from PubChem (CID 122515579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).