6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

C24H24FN3O4 — CID 167026304

About 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione

6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (PubChem CID 167026304) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
• PubChem CID: 167026304
• Molecular Formula: C24H24FN3O4
• Molecular Weight: 437.47 g/mol
• Exact Mass: 437.18
• IUPAC Name: 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
• SMILES: C[C@H]1CC[C@@H](c2ccc(F)cc2)N1C(=O)CN1C(=O)OC2(CCc3cc(N)ccc32)C1=O
• InChI: InChI=1S/C24H24FN3O4/c1-14-2-9-20(15-3-5-17(25)6-4-15)28(14)21(29)13-27-22(30)24(32-23(27)31)11-10-16-12-18(26)7-8-19(16)24/h3-8,12,14,20H,2,9-11,13,26H2,1H3/t14-,20-,24?/m0/s1
• InChIKey: YSULMZCBMTUNMC-VTSLXLNKSA-N
• XLogP: 3.28
• TPSA: 92.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.47
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?

The IUPAC name of 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione (CID 167026304) is 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione.

What is the SMILES notation for 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?

The canonical SMILES for 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is C[C@H]1CC[C@@H](c2ccc(F)cc2)N1C(=O)CN1C(=O)OC2(CCc3cc(N)ccc32)C1=O.

What is the InChIKey of 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?

The InChIKey is YSULMZCBMTUNMC-VTSLXLNKSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-14-2-9-20(15-3-5-17(25)6-4-15)28(14)21(29)13-27-22(30)24(32-23(27)31)11-10-16-12-18(26)7-8-19(16)24/h3-8,12,14,20H,2,9-11,13,26H2,1H3/t14-,20-,24?/m0/s1.

What are the key properties of 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione?

6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione has a molecular weight of 437.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione is sourced from PubChem (CID 167026304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).