[(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid

C74H92B4N8O22 — CID 159411341

About [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid

[(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid (PubChem CID 159411341) has the molecular formula C74H92B4N8O22 and a molecular weight of 1488.83 g/mol. Its IUPAC name is [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid.

Molecular Properties

• Compound Name: [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid
• PubChem CID: 159411341
• Molecular Formula: C74H92B4N8O22
• Molecular Weight: 1488.83 g/mol
• Exact Mass: 1488.67
• IUPAC Name: [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid
• SMILES: Cc1ccc(C[C@H](NC(=O)CCN2CCCCC2=O)B(O)O)c(C)c1.O=C(CCN1CC(c2ccccc2)OC1=O)N[C@@H](Cc1coc2ccccc12)B(O)O.O=C(CCN1CCCOC1=O)N[C@@H](Cc1coc2ccccc12)B(O)O.O=C(CCN1CCOCC1=O)N[C@@H](Cc1coc2ccccc12)B(O)O
• InChI: InChI=1S/C22H23BN2O6.C18H27BN2O4.2C17H21BN2O6/c26-21(10-11-25-13-19(31-22(25)27)15-6-2-1-3-7-15)24-20(23(28)29)12-16-14-30-18-9-5-4-8-17(16)18;1-13-6-7-15(14(2)11-13)12-16(19(24)25)20-17(22)8-10-21-9-4-3-5-18(21)23;21-16(6-8-20-7-3-9-25-17(20)22)19-15(18(23)24)10-12-11-26-14-5-2-1-4-13(12)14;21-16(5-6-20-7-8-25-11-17(20)22)19-15(18(23)24)9-12-10-26-14-4-2-1-3-13(12)14/h1-9,14,19-20,28-29H,10-13H2,(H,24,26);6-7,11,16,24-25H,3-5,8-10,12H2,1-2H3,(H,20,22);1-2,4-5,11,15,23-24H,3,6-10H2,(H,19,21);1-4,10,15,23-24H,5-9,11H2,(H,19,21)/t19?,20-;16-;2*15-/m0000/s1
• InChIKey: LOPQODKHLPNWJG-FAOGZTKJSA-N
• XLogP: 3.23
• TPSA: 426.59 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.83
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid?

The IUPAC name of [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid (CID 159411341) is [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid.

What is the SMILES notation for [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid?

The canonical SMILES for [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid is Cc1ccc(C[C@H](NC(=O)CCN2CCCCC2=O)B(O)O)c(C)c1.O=C(CCN1CC(c2ccccc2)OC1=O)N[C@@H](Cc1coc2ccccc12)B(O)O.O=C(CCN1CCCOC1=O)N[C@@H](Cc1coc2ccccc12)B(O)O.O=C(CCN1CCOCC1=O)N[C@@H](Cc1coc2ccccc12)B(O)O.

What is the InChIKey of [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid?

The InChIKey is LOPQODKHLPNWJG-FAOGZTKJSA-N. The full InChI is InChI=1S/C22H23BN2O6.C18H27BN2O4.2C17H21BN2O6/c26-21(10-11-25-13-19(31-22(25)27)15-6-2-1-3-7-15)24-20(23(28)29)12-16-14-30-18-9-5-4-8-17(16)18;1-13-6-7-15(14(2)11-13)12-16(19(24)25)20-17(22)8-10-21-9-4-3-5-18(21)23;21-16(6-8-20-7-3-9-25-17(20)22)19-15(18(23)24)10-12-11-26-14-5-2-1-4-13(12)14;21-16(5-6-20-7-8-25-11-17(20)22)19-15(18(23)24)9-12-10-26-14-4-2-1-3-13(12)14/h1-9,14,19-20,28-29H,10-13H2,(H,24,26);6-7,11,16,24-25H,3-5,8-10,12H2,1-2H3,(H,20,22);1-2,4-5,11,15,23-24H,3,6-10H2,(H,19,21);1-4,10,15,23-24H,5-9,11H2,(H,19,21)/t19?,20-;16-;2*15-/m0000/s1.

What are the key properties of [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid?

[(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid has a molecular weight of 1488.83 g/mol, XLogP of 3.23, 29 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-2-(1-benzofuran-3-yl)-1-[3-(3-oxomorpholin-4-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-1,3-oxazinan-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(1-benzofuran-3-yl)-1-[3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)propanoylamino]ethyl]boronic acid;[(1R)-2-(2,4-dimethylphenyl)-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid is sourced from PubChem (CID 159411341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).