prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate

C24H41N3O7Si — CID 173369042

About prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate

prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate (PubChem CID 173369042) has the molecular formula C24H41N3O7Si and a molecular weight of 511.69 g/mol. Its IUPAC name is prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate
• PubChem CID: 173369042
• Molecular Formula: C24H41N3O7Si
• Molecular Weight: 511.69 g/mol
• Exact Mass: 511.27
• IUPAC Name: prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate
• SMILES: C=CCOC(=O)NC[C@H](CC(=O)C[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C)NC(=O)OCC=C
• InChI: InChI=1S/C24H41N3O7Si/c1-9-11-32-21(30)25-15-16(26-22(31)33-12-10-2)13-17(28)14-18-19(20(29)27-18)24(6,23(3,4)5)34-35(7)8/h9-10,16,18-19,35H,1-2,11-15H2,3-8H3,(H,25,30)(H,26,31)(H,27,29)/t16-,18+,19+,24+/m0/s1
• InChIKey: WESAUGSGIYBOEL-AVDZWTPASA-N
• XLogP: 2.45
• TPSA: 132.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.69
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate?

The IUPAC name of prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate (CID 173369042) is prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate.

What is the SMILES notation for prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate?

The canonical SMILES for prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate is C=CCOC(=O)NC[C@H](CC(=O)C[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C)NC(=O)OCC=C.

What is the InChIKey of prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate?

The InChIKey is WESAUGSGIYBOEL-AVDZWTPASA-N. The full InChI is InChI=1S/C24H41N3O7Si/c1-9-11-32-21(30)25-15-16(26-22(31)33-12-10-2)13-17(28)14-18-19(20(29)27-18)24(6,23(3,4)5)34-35(7)8/h9-10,16,18-19,35H,1-2,11-15H2,3-8H3,(H,25,30)(H,26,31)(H,27,29)/t16-,18+,19+,24+/m0/s1.

What are the key properties of prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate?

prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate has a molecular weight of 511.69 g/mol, XLogP of 2.45, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl N-[(2S)-5-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-4-oxo-1-(prop-2-enoxycarbonylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 173369042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).