prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate

C78H73N5O11P2 — CID 158280785

About prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate

prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate (PubChem CID 158280785) has the molecular formula C78H73N5O11P2 and a molecular weight of 1318.41 g/mol. Its IUPAC name is prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate.

Molecular Properties

• Compound Name: prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
• PubChem CID: 158280785
• Molecular Formula: C78H73N5O11P2
• Molecular Weight: 1318.41 g/mol
• Exact Mass: 1317.48
• IUPAC Name: prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
• SMILES: C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O)[C@H]1CC(=O)c1ccc(N)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O)[C@H]1CC(=O)c1ccc(NC(=O)c2cccnc2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C42H38N3O6P.C36H35N2O5P/c1-3-26-51-42(50)41(52(33-15-7-4-8-16-33,34-17-9-5-10-18-34)35-19-11-6-12-20-35)45-36(38(29(2)46)40(45)49)27-37(47)30-21-23-32(24-22-30)44-39(48)31-14-13-25-43-28-31;1-3-23-43-36(42)35(38-31(33(25(2)39)34(38)41)24-32(40)26-19-21-27(37)22-20-26)44(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30/h3-25,28-29,36,38,46H,1,26-27H2,2H3,(H,44,48);3-22,25,31,33,39H,1,23-24,37H2,2H3/t29-,36-,38-;25-,31-,33-/m11/s1
• InChIKey: GKEKILAWLSVIQL-RYFXRLTISA-N
• XLogP: 8.87
• TPSA: 235.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 24
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1318.41
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', '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 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?

The IUPAC name of prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate (CID 158280785) is prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate.

What is the SMILES notation for prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?

The canonical SMILES for prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate is C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O)[C@H]1CC(=O)c1ccc(N)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O)[C@H]1CC(=O)c1ccc(NC(=O)c2cccnc2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?

The InChIKey is GKEKILAWLSVIQL-RYFXRLTISA-N. The full InChI is InChI=1S/C42H38N3O6P.C36H35N2O5P/c1-3-26-51-42(50)41(52(33-15-7-4-8-16-33,34-17-9-5-10-18-34)35-19-11-6-12-20-35)45-36(38(29(2)46)40(45)49)27-37(47)30-21-23-32(24-22-30)44-39(48)31-14-13-25-43-28-31;1-3-23-43-36(42)35(38-31(33(25(2)39)34(38)41)24-32(40)26-19-21-27(37)22-20-26)44(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30/h3-25,28-29,36,38,46H,1,26-27H2,2H3,(H,44,48);3-22,25,31,33,39H,1,23-24,37H2,2H3/t29-,36-,38-;25-,31-,33-/m11/s1.

What are the key properties of prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?

prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate has a molecular weight of 1318.41 g/mol, XLogP of 8.87, 24 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 2-[(2R,3S)-2-[2-(4-aminophenyl)-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-hydroxyethyl]-2-oxo-4-[2-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate is sourced from PubChem (CID 158280785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).