prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate

C26H34N2O4Si — CID 57314363

IUPACprop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate
SMILESC=CCOC(=O)N[C@@H]1C(=O)N[C@@H]1[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34N2O4Si/c1-6-17-31-25(30)28-23-22(27-24(23)29)19(2)18-32-33(26(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h6-16,19,22-23H,1,17-18H2,2-5H3,(H,27,29)(H,28,30)/t19-,22-,23+/m1/s1
InChIKeyOJLWLKFOTLVPEH-PTUXOGIPSA-N
MW466.65 g/mol
LogP2.98
Rot. Bonds9

About prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate

prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate (PubChem CID 57314363) has the molecular formula C26H34N2O4Si and a molecular weight of 466.65 g/mol. Its IUPAC name is prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate
PubChem CID57314363
Molecular FormulaC26H34N2O4Si
Molecular Weight466.65 g/mol
Exact Mass466.23
IUPAC Nameprop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate
SMILESC=CCOC(=O)N[C@@H]1C(=O)N[C@@H]1[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34N2O4Si/c1-6-17-31-25(30)28-23-22(27-24(23)29)19(2)18-32-33(26(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h6-16,19,22-23H,1,17-18H2,2-5H3,(H,27,29)(H,28,30)/t19-,22-,23+/m1/s1
InChIKeyOJLWLKFOTLVPEH-PTUXOGIPSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.65
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
dimethyl 2-[1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-yl]propanedioate
CID 135072238
tert-butyl N-[(1R,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-pent-4-enylcyclopentyl]carbamate
CID 11671194
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate
CID 102171832
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
methyl (2R)-2-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpropyl]-2-methylpent-4-enoate
CID 11396886
tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
CID 150355480

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate (CID 57314363) is prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate is C=CCOC(=O)N[C@@H]1C(=O)N[C@@H]1[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate?
The InChIKey is OJLWLKFOTLVPEH-PTUXOGIPSA-N. The full InChI is InChI=1S/C26H34N2O4Si/c1-6-17-31-25(30)28-23-22(27-24(23)29)19(2)18-32-33(26(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h6-16,19,22-23H,1,17-18H2,2-5H3,(H,27,29)(H,28,30)/t19-,22-,23+/m1/s1.
What are the key properties of prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate?
prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate has a molecular weight of 466.65 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2R,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 57314363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).