2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid

C11H13FNO6P — CID 18403149

IUPAC2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid
SMILESO=C(O)CCC(NP(=O)(O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H13FNO6P/c12-7-1-3-8(4-2-7)20(18,19)13-9(11(16)17)5-6-10(14)15/h1-4,9H,5-6H2,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyXPTOUPHGGSTLHI-UHFFFAOYSA-N
MW305.20 g/mol
LogP0.54
Rot. Bonds7

About 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid

2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid (PubChem CID 18403149) has the molecular formula C11H13FNO6P and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid
PubChem CID18403149
Molecular FormulaC11H13FNO6P
Molecular Weight305.20 g/mol
Exact Mass305.05
IUPAC Name2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid
SMILESO=C(O)CCC(NP(=O)(O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H13FNO6P/c12-7-1-3-8(4-2-7)20(18,19)13-9(11(16)17)5-6-10(14)15/h1-4,9H,5-6H2,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyXPTOUPHGGSTLHI-UHFFFAOYSA-N
XLogP0.54
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid?
The IUPAC name of 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid (CID 18403149) is 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid?
The canonical SMILES for 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid is O=C(O)CCC(NP(=O)(O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid?
The InChIKey is XPTOUPHGGSTLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FNO6P/c12-7-1-3-8(4-2-7)20(18,19)13-9(11(16)17)5-6-10(14)15/h1-4,9H,5-6H2,(H,14,15)(H,16,17)(H2,13,18,19).
What are the key properties of 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid?
2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid has a molecular weight of 305.20 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)-hydroxyphosphoryl]amino]pentanedioic acid is sourced from PubChem (CID 18403149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).