8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid

C23H29FN4O6S — CID 25252892

About 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid

8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid (PubChem CID 25252892) has the molecular formula C23H29FN4O6S and a molecular weight of 508.57 g/mol. Its IUPAC name is 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid.

Molecular Properties

• Compound Name: 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid
• PubChem CID: 25252892
• Molecular Formula: C23H29FN4O6S
• Molecular Weight: 508.57 g/mol
• Exact Mass: 508.18
• IUPAC Name: 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid
• SMILES: Nc1c(F)c(NCCS(=O)(=O)N2CCCCC2)c2c3c1c(=O)c(C(=O)O)cn3C1(CCCC1)CO2
• InChI: InChI=1S/C23H29FN4O6S/c24-16-17(25)15-19-21(18(16)26-8-11-35(32,33)27-9-4-1-5-10-27)34-13-23(6-2-3-7-23)28(19)12-14(20(15)29)22(30)31/h12,26H,1-11,13,25H2,(H,30,31)
• InChIKey: UEWNPOQXJLGCLD-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 143.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.57
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid?

The IUPAC name of 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid (CID 25252892) is 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid.

What is the SMILES notation for 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid?

The canonical SMILES for 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid is Nc1c(F)c(NCCS(=O)(=O)N2CCCCC2)c2c3c1c(=O)c(C(=O)O)cn3C1(CCCC1)CO2.

What is the InChIKey of 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid?

The InChIKey is UEWNPOQXJLGCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O6S/c24-16-17(25)15-19-21(18(16)26-8-11-35(32,33)27-9-4-1-5-10-27)34-13-23(6-2-3-7-23)28(19)12-14(20(15)29)22(30)31/h12,26H,1-11,13,25H2,(H,30,31).

What are the key properties of 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid?

8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid has a molecular weight of 508.57 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-7-fluoro-10-oxo-6-(2-piperidin-1-ylsulfonylethylamino)spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid is sourced from PubChem (CID 25252892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).