(3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid

C58H70F2N6O13 — CID 165059250

About (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid

(3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid (PubChem CID 165059250) has the molecular formula C58H70F2N6O13 and a molecular weight of 1097.22 g/mol. Its IUPAC name is (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid.

Molecular Properties

• Compound Name: (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid
• PubChem CID: 165059250
• Molecular Formula: C58H70F2N6O13
• Molecular Weight: 1097.22 g/mol
• Exact Mass: 1096.50
• IUPAC Name: (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid
• SMILES: C.C.CO[C@@H](C)C(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2)C1=O.CO[C@@H](C)C(=O)O.C[C@H]1CC[C@@H](c2ccc(F)cc2)N1C(=O)CN1C(=O)O[C@@]2(CCc3cc(N)ccc32)C1=O
• InChI: InChI=1S/C28H30FN3O6.C24H24FN3O4.C4H8O3.2CH4/c1-16-4-11-23(18-5-7-20(29)8-6-18)32(16)24(33)15-31-26(35)28(38-27(31)36)13-12-19-14-21(9-10-22(19)28)30-25(34)17(2)37-3;1-14-2-9-20(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;1-3(7-2)4(5)6;;/h5-10,14,16-17,23H,4,11-13,15H2,1-3H3,(H,30,34);3-8,12,14,20H,2,9-11,13,26H2,1H3;3H,1-2H3,(H,5,6);2*1H4/t16-,17-,23-,28+;14-,20-,24+;3-;;/m000../s1
• InChIKey: QXWYKUNRZVCGIO-FRTJIGFOSA-N
• XLogP: 8.33
• TPSA: 244.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1097.22
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid?

The IUPAC name of (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid (CID 165059250) is (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid.

What is the SMILES notation for (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid?

The canonical SMILES for (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid is C.C.CO[C@@H](C)C(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2)C1=O.CO[C@@H](C)C(=O)O.C[C@H]1CC[C@@H](c2ccc(F)cc2)N1C(=O)CN1C(=O)O[C@@]2(CCc3cc(N)ccc32)C1=O.

What is the InChIKey of (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid?

The InChIKey is QXWYKUNRZVCGIO-FRTJIGFOSA-N. The full InChI is InChI=1S/C28H30FN3O6.C24H24FN3O4.C4H8O3.2CH4/c1-16-4-11-23(18-5-7-20(29)8-6-18)32(16)24(33)15-31-26(35)28(38-27(31)36)13-12-19-14-21(9-10-22(19)28)30-25(34)17(2)37-3;1-14-2-9-20(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;1-3(7-2)4(5)6;;/h5-10,14,16-17,23H,4,11-13,15H2,1-3H3,(H,30,34);3-8,12,14,20H,2,9-11,13,26H2,1H3;3H,1-2H3,(H,5,6);2*1H4/t16-,17-,23-,28+;14-,20-,24+;3-;;/m000../s1.

What are the key properties of (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid?

(3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid has a molecular weight of 1097.22 g/mol, XLogP of 8.33, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-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;(2S)-N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-methoxypropanamide;methane;(2S)-2-methoxypropanoic acid is sourced from PubChem (CID 165059250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).