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

C17H19FN2O4 — CID 153393072

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

6-(1-aminocyclopropyl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;ethane (PubChem CID 153393072) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;ethane.

Molecular Properties

• Compound Name: 6-(1-aminocyclopropyl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;ethane
• PubChem CID: 153393072
• Molecular Formula: C17H19FN2O4
• Molecular Weight: 334.35 g/mol
• Exact Mass: 334.13
• IUPAC Name: 6-(1-aminocyclopropyl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;ethane
• SMILES: CC.NC1(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4)CC1
• InChI: InChI=1S/C15H13FN2O4.C2H6/c16-9-5-7-11-13(10(9)15(17)1-2-15)22-4-3-18(11)6-8(12(7)19)14(20)21;1-2/h5-6H,1-4,17H2,(H,20,21);1-2H3
• InChIKey: RAKGNRSXKHRFBF-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 94.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.35
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-(1-aminocyclopropyl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;ethane (CID 153393072) is 6-(1-aminocyclopropyl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;ethane.

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

The canonical SMILES for 6-(1-aminocyclopropyl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;ethane is CC.NC1(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4)CC1.

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

The InChIKey is RAKGNRSXKHRFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4.C2H6/c16-9-5-7-11-13(10(9)15(17)1-2-15)22-4-3-18(11)6-8(12(7)19)14(20)21;1-2/h5-6H,1-4,17H2,(H,20,21);1-2H3.

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

6-(1-aminocyclopropyl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;ethane has a molecular weight of 334.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-aminocyclopropyl)-7-fluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;ethane is sourced from PubChem (CID 153393072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).