prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate

C25H42N2O6Si — CID 173344794

IUPACprop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](OC)C[C@H]1/C=C(\C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C25H42N2O6Si/c1-10-11-32-23(30)27-15-18(31-7)13-17(27)12-16(2)20(28)14-19-21(22(29)26-19)25(6,24(3,4)5)33-34(8)9/h10,12,17-19,21,34H,1,11,13-15H2,2-9H3,(H,26,29)/b16-12+/t17-,18+,19-,21-,25-/m1/s1
InChIKeyUPWVZSGXFQTNRT-VJRDCKAZSA-N
MW494.71 g/mol
LogP3.22
Rot. Bonds10

About prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate

prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate (PubChem CID 173344794) has the molecular formula C25H42N2O6Si and a molecular weight of 494.71 g/mol. Its IUPAC name is prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate
PubChem CID173344794
Molecular FormulaC25H42N2O6Si
Molecular Weight494.71 g/mol
Exact Mass494.28
IUPAC Nameprop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@@H](OC)C[C@H]1/C=C(\C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C25H42N2O6Si/c1-10-11-32-23(30)27-15-18(31-7)13-17(27)12-16(2)20(28)14-19-21(22(29)26-19)25(6,24(3,4)5)33-34(8)9/h10,12,17-19,21,34H,1,11,13-15H2,2-9H3,(H,26,29)/b16-12+/t17-,18+,19-,21-,25-/m1/s1
InChIKeyUPWVZSGXFQTNRT-VJRDCKAZSA-N
XLogP3.22
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate (CID 173344794) is prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@@H](OC)C[C@H]1/C=C(\C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
The InChIKey is UPWVZSGXFQTNRT-VJRDCKAZSA-N. The full InChI is InChI=1S/C25H42N2O6Si/c1-10-11-32-23(30)27-15-18(31-7)13-17(27)12-16(2)20(28)14-19-21(22(29)26-19)25(6,24(3,4)5)33-34(8)9/h10,12,17-19,21,34H,1,11,13-15H2,2-9H3,(H,26,29)/b16-12+/t17-,18+,19-,21-,25-/m1/s1.
What are the key properties of prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate has a molecular weight of 494.71 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4S)-2-[(E)-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 173344794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).