7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid

C22H26FN3O6 — CID 67881057

About 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid

7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid (PubChem CID 67881057) has the molecular formula C22H26FN3O6 and a molecular weight of 447.46 g/mol. Its IUPAC name is 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid.

Molecular Properties

• Compound Name: 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid
• PubChem CID: 67881057
• Molecular Formula: C22H26FN3O6
• Molecular Weight: 447.46 g/mol
• Exact Mass: 447.18
• IUPAC Name: 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid
• SMILES: CC(O)C(=O)O.NC1CC12CCN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2
• InChI: InChI=1S/C19H20FN3O3.C3H6O3/c20-13-5-11-14(6-15(13)22-4-3-19(9-22)7-16(19)21)23(10-1-2-10)8-12(17(11)24)18(25)26;1-2(4)3(5)6/h5-6,8,10,16H,1-4,7,9,21H2,(H,25,26);2,4H,1H3,(H,5,6)
• InChIKey: UOWRMHNIMUXEIQ-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 146.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.46
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid?

The IUPAC name of 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid (CID 67881057) is 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid.

What is the SMILES notation for 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid?

The canonical SMILES for 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid is CC(O)C(=O)O.NC1CC12CCN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2.

What is the InChIKey of 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid?

The InChIKey is UOWRMHNIMUXEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3.C3H6O3/c20-13-5-11-14(6-15(13)22-4-3-19(9-22)7-16(19)21)23(10-1-2-10)8-12(17(11)24)18(25)26;1-2(4)3(5)6/h5-6,8,10,16H,1-4,7,9,21H2,(H,25,26);2,4H,1H3,(H,5,6).

What are the key properties of 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid?

7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid has a molecular weight of 447.46 g/mol, XLogP of 1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2-hydroxypropanoic acid is sourced from PubChem (CID 67881057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).