7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane

C48H67F2N5O6 — CID 158922839

About 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane

7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane (PubChem CID 158922839) has the molecular formula C48H67F2N5O6 and a molecular weight of 848.09 g/mol. Its IUPAC name is 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane.

Molecular Properties

• Compound Name: 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane
• PubChem CID: 158922839
• Molecular Formula: C48H67F2N5O6
• Molecular Weight: 848.09 g/mol
• Exact Mass: 847.51
• IUPAC Name: 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane
• SMILES: CC[C@]12CC[C@@]1(N)CN(c1c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c1OC)C2.COC[C@]12CC[C@@]1(C)CN([C@H](C)c1ccccc1)C2.COC[C@]12CC[C@@]1(C)CNC2
• InChI: InChI=1S/C22H25F2N3O4.C17H25NO.C9H17NO/c1-3-21-4-5-22(21,25)10-26(9-21)17-14(24)6-11-16(19(17)31-2)27(15-7-13(15)23)8-12(18(11)28)20(29)30;1-14(15-7-5-4-6-8-15)18-11-16(2)9-10-17(16,12-18)13-19-3;1-8-3-4-9(8,7-11-2)6-10-5-8/h6,8,13,15H,3-5,7,9-10,25H2,1-2H3,(H,29,30);4-8,14H,9-13H2,1-3H3;10H,3-7H2,1-2H3/t13-,15+,21+,22+;14-,16+,17-;8-,9+/m010/s1
• InChIKey: JIBCUKRJDSNCTL-NWSCIUDCSA-N
• XLogP: 7.36
• TPSA: 131.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.09
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane?

The IUPAC name of 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane (CID 158922839) is 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane.

What is the SMILES notation for 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane?

The canonical SMILES for 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane is CC[C@]12CC[C@@]1(N)CN(c1c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c1OC)C2.COC[C@]12CC[C@@]1(C)CN([C@H](C)c1ccccc1)C2.COC[C@]12CC[C@@]1(C)CNC2.

What is the InChIKey of 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane?

The InChIKey is JIBCUKRJDSNCTL-NWSCIUDCSA-N. The full InChI is InChI=1S/C22H25F2N3O4.C17H25NO.C9H17NO/c1-3-21-4-5-22(21,25)10-26(9-21)17-14(24)6-11-16(19(17)31-2)27(15-7-13(15)23)8-12(18(11)28)20(29)30;1-14(15-7-5-4-6-8-15)18-11-16(2)9-10-17(16,12-18)13-19-3;1-8-3-4-9(8,7-11-2)6-10-5-8/h6,8,13,15H,3-5,7,9-10,25H2,1-2H3,(H,29,30);4-8,14H,9-13H2,1-3H3;10H,3-7H2,1-2H3/t13-,15+,21+,22+;14-,16+,17-;8-,9+/m010/s1.

What are the key properties of 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane?

7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane has a molecular weight of 848.09 g/mol, XLogP of 7.36, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1S,5R)-1-amino-5-ethyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;(1R,5R)-1-(methoxymethyl)-5-methyl-3-azabicyclo[3.2.0]heptane;(1R,5R)-1-(methoxymethyl)-5-methyl-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 158922839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).