1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid

C26H34FN3O5 — CID 118864560

About 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid

1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid (PubChem CID 118864560) has the molecular formula C26H34FN3O5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
• PubChem CID: 118864560
• Molecular Formula: C26H34FN3O5
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.25
• IUPAC Name: 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
• SMILES: CCc1c(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12
• InChI: InChI=1S/C26H34FN3O5/c1-6-18-21-16(11-19(24(32)33)23(31)30(21)17-7-8-17)12-20(27)22(18)29-10-9-15(13-29)14(2)28-25(34)35-26(3,4)5/h11-12,14-15,17H,6-10,13H2,1-5H3,(H,28,34)(H,32,33)/t14-,15+/m0/s1
• InChIKey: YOSMJHYSOGZVTC-LSDHHAIUSA-N
• XLogP: 4.48
• TPSA: 100.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid (CID 118864560) is 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid is CCc1c(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12.

What is the InChIKey of 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid?

The InChIKey is YOSMJHYSOGZVTC-LSDHHAIUSA-N. The full InChI is InChI=1S/C26H34FN3O5/c1-6-18-21-16(11-19(24(32)33)23(31)30(21)17-7-8-17)12-20(27)22(18)29-10-9-15(13-29)14(2)28-25(34)35-26(3,4)5/h11-12,14-15,17H,6-10,13H2,1-5H3,(H,28,34)(H,32,33)/t14-,15+/m0/s1.

What are the key properties of 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid?

1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid has a molecular weight of 487.57 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 118864560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).