6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

C16H18FN4O5P — CID 143187211

About 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid (PubChem CID 143187211) has the molecular formula C16H18FN4O5P and a molecular weight of 396.32 g/mol. Its IUPAC name is 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.

Molecular Properties

• Compound Name: 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• PubChem CID: 143187211
• Molecular Formula: C16H18FN4O5P
• Molecular Weight: 396.32 g/mol
• Exact Mass: 396.10
• IUPAC Name: 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• SMILES: NOPN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4)CC1
• InChI: InChI=1S/C16H18FN4O5P/c17-11-7-9-12-15(13(11)19-1-3-21(4-2-19)27-26-18)25-6-5-20(12)8-10(14(9)22)16(23)24/h7-8,27H,1-6,18H2,(H,23,24)
• InChIKey: OPKRLUWMXWBIFP-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.32
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

The IUPAC name of 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid (CID 143187211) is 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.

What is the SMILES notation for 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

The canonical SMILES for 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid is NOPN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4)CC1.

What is the InChIKey of 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

The InChIKey is OPKRLUWMXWBIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN4O5P/c17-11-7-9-12-15(13(11)19-1-3-21(4-2-19)27-26-18)25-6-5-20(12)8-10(14(9)22)16(23)24/h7-8,27H,1-6,18H2,(H,23,24).

What are the key properties of 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid has a molecular weight of 396.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-aminooxyphosphanylpiperazin-1-yl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid is sourced from PubChem (CID 143187211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).