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

C25H42N2O6Si — CID 173344675

IUPACprop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-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]1C=C(C)C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C25H42N2O6Si/c1-9-10-32-24(30)27-14-18(31-6)12-17(27)11-16(2)21(28)13-20-22(23(29)26-20)19(25(3,4)5)15-33-34(7)8/h9,11,17-20,22,34H,1,10,12-15H2,2-8H3,(H,26,29)/t17-,18-,19-,20-,22+/m1/s1
InChIKeyFFKVFKUSJBGPGF-DOSYZEEDSA-N
MW494.71 g/mol
LogP3.08
Rot. Bonds11

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

prop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate (PubChem CID 173344675) has the molecular formula C25H42N2O6Si and a molecular weight of 494.71 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-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,4R)-2-[4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate
PubChem CID173344675
Molecular FormulaC25H42N2O6Si
Molecular Weight494.71 g/mol
Exact Mass494.28
IUPAC Nameprop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-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]1C=C(C)C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C25H42N2O6Si/c1-9-10-32-24(30)27-14-18(31-6)12-17(27)11-16(2)21(28)13-20-22(23(29)26-20)19(25(3,4)5)15-33-34(7)8/h9,11,17-20,22,34H,1,10,12-15H2,2-8H3,(H,26,29)/t17-,18-,19-,20-,22+/m1/s1
InChIKeyFFKVFKUSJBGPGF-DOSYZEEDSA-N
XLogP3.08
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.71
LogP ≤ 53.08
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,4R)-2-[4-[(2R,3S)-3-[(2R)-1-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,4R)-2-[4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate (CID 173344675) is prop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-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,4R)-2-[4-[(2R,3S)-3-[(2R)-1-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,4R)-2-[4-[(2R,3S)-3-[(2R)-1-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]1C=C(C)C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[SiH](C)C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
The InChIKey is FFKVFKUSJBGPGF-DOSYZEEDSA-N. The full InChI is InChI=1S/C25H42N2O6Si/c1-9-10-32-24(30)27-14-18(31-6)12-17(27)11-16(2)21(28)13-20-22(23(29)26-20)19(25(3,4)5)15-33-34(7)8/h9,11,17-20,22,34H,1,10,12-15H2,2-8H3,(H,26,29)/t17-,18-,19-,20-,22+/m1/s1.
What are the key properties of prop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]-4-methoxypyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-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 3.08, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-2-[4-[(2R,3S)-3-[(2R)-1-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 173344675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).