5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

C25H33FN4O5 — CID 19105535

About 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 19105535) has the molecular formula C25H33FN4O5 and a molecular weight of 488.56 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 19105535
• Molecular Formula: C25H33FN4O5
• Molecular Weight: 488.56 g/mol
• Exact Mass: 488.24
• IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NC(C)(C)C1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1
• InChI: InChI=1S/C25H33FN4O5/c1-24(2,3)35-23(34)28-25(4,5)13-8-9-29(11-13)17-10-16-18(20(27)19(17)26)21(31)15(22(32)33)12-30(16)14-6-7-14/h10,12-14H,6-9,11,27H2,1-5H3,(H,28,34)(H,32,33)
• InChIKey: AAIIAJVQAJJVPK-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 126.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.56
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid (CID 19105535) is 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid is CC(C)(C)OC(=O)NC(C)(C)C1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1.

What is the InChIKey of 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

The InChIKey is AAIIAJVQAJJVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O5/c1-24(2,3)35-23(34)28-25(4,5)13-8-9-29(11-13)17-10-16-18(20(27)19(17)26)21(31)15(22(32)33)12-30(16)14-6-7-14/h10,12-14H,6-9,11,27H2,1-5H3,(H,28,34)(H,32,33).

What are the key properties of 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid?

5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 488.56 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 19105535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).