prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

C96H115N6O22PSi2 — CID 160925833

About prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (PubChem CID 160925833) has the molecular formula C96H115N6O22PSi2 and a molecular weight of 1792.14 g/mol. Its IUPAC name is prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

Molecular Properties

• Compound Name: prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• PubChem CID: 160925833
• Molecular Formula: C96H115N6O22PSi2
• Molecular Weight: 1792.14 g/mol
• Exact Mass: 1790.73
• IUPAC Name: prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• SMILES: C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1CC(=O)c1ccc(OCC(=O)N2CCOCC2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C1=C(c2ccc(OCC(=O)N3CCOCC3)cc2)C[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12.C=CCOC(=O)C1=C(c2ccc(OCC(=O)N3CCOCC3)cc2)C[C@@H]2[C@@H]([C@@H](C)O[Si](C)(C)C)C(=O)N12
• InChI: InChI=1S/C45H51N2O8PSi.C27H36N2O7Si.C24H28N2O7/c1-6-28-53-45(51)44(56(36-16-10-7-11-17-36,37-18-12-8-13-19-37)38-20-14-9-15-21-38)47-39(42(43(47)50)33(2)55-57(3,4)5)31-40(48)34-22-24-35(25-23-34)54-32-41(49)46-26-29-52-30-27-46;1-6-13-34-27(32)25-21(16-22-24(26(31)29(22)25)18(2)36-37(3,4)5)19-7-9-20(10-8-19)35-17-23(30)28-11-14-33-15-12-28;1-3-10-32-24(30)22-18(13-19-21(15(2)27)23(29)26(19)22)16-4-6-17(7-5-16)33-14-20(28)25-8-11-31-12-9-25/h6-25,33,39,42H,1,26-32H2,2-5H3;6-10,18,22,24H,1,11-17H2,2-5H3;3-7,15,19,21,27H,1,8-14H2,2H3/t33-,39-,42-;18-,22-,24-;15-,19-,21-/m111/s1
• InChIKey: SSPYLVOYTXDYSK-IJHFDVFBSA-N
• XLogP: 9.23
• TPSA: 311.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.14
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

The IUPAC name of prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CID 160925833) is prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

What is the SMILES notation for prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

The canonical SMILES for prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1CC(=O)c1ccc(OCC(=O)N2CCOCC2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C1=C(c2ccc(OCC(=O)N3CCOCC3)cc2)C[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12.C=CCOC(=O)C1=C(c2ccc(OCC(=O)N3CCOCC3)cc2)C[C@@H]2[C@@H]([C@@H](C)O[Si](C)(C)C)C(=O)N12.

What is the InChIKey of prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

The InChIKey is SSPYLVOYTXDYSK-IJHFDVFBSA-N. The full InChI is InChI=1S/C45H51N2O8PSi.C27H36N2O7Si.C24H28N2O7/c1-6-28-53-45(51)44(56(36-16-10-7-11-17-36,37-18-12-8-13-19-37)38-20-14-9-15-21-38)47-39(42(43(47)50)33(2)55-57(3,4)5)31-40(48)34-22-24-35(25-23-34)54-32-41(49)46-26-29-52-30-27-46;1-6-13-34-27(32)25-21(16-22-24(26(31)29(22)25)18(2)36-37(3,4)5)19-7-9-20(10-8-19)35-17-23(30)28-11-14-33-15-12-28;1-3-10-32-24(30)22-18(13-19-21(15(2)27)23(29)26(19)22)16-4-6-17(7-5-16)33-14-20(28)25-8-11-31-12-9-25/h6-25,33,39,42H,1,26-32H2,2-5H3;6-10,18,22,24H,1,11-17H2,2-5H3;3-7,15,19,21,27H,1,8-14H2,2H3/t33-,39-,42-;18-,22-,24-;15-,19-,21-/m111/s1.

What are the key properties of prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate has a molecular weight of 1792.14 g/mol, XLogP of 9.23, 34 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is sourced from PubChem (CID 160925833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).