[2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate

C57H68F2N4O19 — CID 159771944

About [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate

[2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 159771944) has the molecular formula C57H68F2N4O19 and a molecular weight of 1151.18 g/mol. Its IUPAC name is [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate
• PubChem CID: 159771944
• Molecular Formula: C57H68F2N4O19
• Molecular Weight: 1151.18 g/mol
• Exact Mass: 1150.44
• IUPAC Name: [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(=O)N1C(=O)C2CC(F)CC21.C=C(C)C(=O)OCC(=O)N1C(=O)C2CC3C4CC(CC4F)C3C21.C=C(C)C(=O)OCC(=O)N1C(=O)C2CC3C4CC(CC4O)C3C21.C=C(C)C(=O)OCC(=O)N1C(=O)CC1OC(C)=O
• InChI: InChI=1S/C17H20FNO4.C17H21NO5.C12H14FNO4.C11H13NO6/c1-7(2)17(22)23-6-13(20)19-15-11(16(19)21)5-10-9-3-8(14(10)15)4-12(9)18;1-7(2)17(22)23-6-13(20)18-15-11(16(18)21)5-10-9-3-8(14(10)15)4-12(9)19;1-6(2)12(17)18-5-10(15)14-9-4-7(13)3-8(9)11(14)16;1-6(2)11(16)17-5-9(15)12-8(14)4-10(12)18-7(3)13/h8-12,14-15H,1,3-6H2,2H3;8-12,14-15,19H,1,3-6H2,2H3;7-9H,1,3-5H2,2H3;10H,1,4-5H2,2-3H3
• InChIKey: NGFMGFCFGQVMCM-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 301.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1151.18
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate?

The IUPAC name of [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate (CID 159771944) is [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate.

What is the SMILES notation for [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate?

The canonical SMILES for [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)N1C(=O)C2CC(F)CC21.C=C(C)C(=O)OCC(=O)N1C(=O)C2CC3C4CC(CC4F)C3C21.C=C(C)C(=O)OCC(=O)N1C(=O)C2CC3C4CC(CC4O)C3C21.C=C(C)C(=O)OCC(=O)N1C(=O)CC1OC(C)=O.

What is the InChIKey of [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate?

The InChIKey is NGFMGFCFGQVMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4.C17H21NO5.C12H14FNO4.C11H13NO6/c1-7(2)17(22)23-6-13(20)19-15-11(16(19)21)5-10-9-3-8(14(10)15)4-12(9)18;1-7(2)17(22)23-6-13(20)18-15-11(16(18)21)5-10-9-3-8(14(10)15)4-12(9)19;1-6(2)12(17)18-5-10(15)14-9-4-7(13)3-8(9)11(14)16;1-6(2)11(16)17-5-9(15)12-8(14)4-10(12)18-7(3)13/h8-12,14-15H,1,3-6H2,2H3;8-12,14-15,19H,1,3-6H2,2H3;7-9H,1,3-5H2,2H3;10H,1,4-5H2,2-3H3.

What are the key properties of [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate?

[2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 1151.18 g/mol, XLogP of 2.31, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-acetyloxy-4-oxoazetidin-1-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(3-fluoro-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-fluoro-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate;[2-(10-hydroxy-5-oxo-4-azatetracyclo[7.2.1.02,8.03,6]dodecan-4-yl)-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 159771944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).