2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate

C32H34F2N6O12 — CID 165075191

About 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate

2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate (PubChem CID 165075191) has the molecular formula C32H34F2N6O12 and a molecular weight of 732.65 g/mol. Its IUPAC name is 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate.

Molecular Properties

• Compound Name: 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
• PubChem CID: 165075191
• Molecular Formula: C32H34F2N6O12
• Molecular Weight: 732.65 g/mol
• Exact Mass: 732.22
• IUPAC Name: 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
• SMILES: C.CNC(=O)Nc1cc2c(cc1F)[C@]1(CC2)OC(=O)N(CC(=O)O)C1=O.CNC(=O)Nc1cc2c(cc1F)[C@]1(CC2)OC(=O)N(CC(=O)OC)C1=O
• InChI: InChI=1S/C16H16FN3O6.C15H14FN3O6.CH4/c1-18-14(23)19-11-5-8-3-4-16(9(8)6-10(11)17)13(22)20(15(24)26-16)7-12(21)25-2;1-17-13(23)18-10-4-7-2-3-15(8(7)5-9(10)16)12(22)19(6-11(20)21)14(24)25-15;/h5-6H,3-4,7H2,1-2H3,(H2,18,19,23);4-5H,2-3,6H2,1H3,(H,20,21)(H2,17,18,23);1H4/t16-;15-;/m00./s1
• InChIKey: UEPIUEGGVBOUFF-SSLCQMJNSA-N
• XLogP: 2.29
• TPSA: 239.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.65
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate?

The IUPAC name of 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate (CID 165075191) is 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate.

What is the SMILES notation for 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate?

The canonical SMILES for 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate is C.CNC(=O)Nc1cc2c(cc1F)[C@]1(CC2)OC(=O)N(CC(=O)O)C1=O.CNC(=O)Nc1cc2c(cc1F)[C@]1(CC2)OC(=O)N(CC(=O)OC)C1=O.

What is the InChIKey of 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate?

The InChIKey is UEPIUEGGVBOUFF-SSLCQMJNSA-N. The full InChI is InChI=1S/C16H16FN3O6.C15H14FN3O6.CH4/c1-18-14(23)19-11-5-8-3-4-16(9(8)6-10(11)17)13(22)20(15(24)26-16)7-12(21)25-2;1-17-13(23)18-10-4-7-2-3-15(8(7)5-9(10)16)12(22)19(6-11(20)21)14(24)25-15;/h5-6H,3-4,7H2,1-2H3,(H2,18,19,23);4-5H,2-3,6H2,1H3,(H,20,21)(H2,17,18,23);1H4/t16-;15-;/m00./s1.

What are the key properties of 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate?

2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate has a molecular weight of 732.65 g/mol, XLogP of 2.29, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid;methane;methyl 2-[(3S)-5-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate is sourced from PubChem (CID 165075191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).