prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate

C24H40N2O6Si — CID 57149371

IUPACprop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOC[C@H]1C=C(C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H40N2O6Si/c1-9-11-31-23(29)26-10-12-30-15-18(26)13-16(2)20(27)14-19-21(22(28)25-19)17(3)32-33(7,8)24(4,5)6/h9,13,17-19,21H,1,10-12,14-15H2,2-8H3,(H,25,28)/t17-,18-,19-,21-/m1/s1
InChIKeySQHWTUPOAOHBGC-ANTGDGSKSA-N
MW480.68 g/mol
LogP3.44
Rot. Bonds9

About prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate

prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate (PubChem CID 57149371) has the molecular formula C24H40N2O6Si and a molecular weight of 480.68 g/mol. Its IUPAC name is prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate
PubChem CID57149371
Molecular FormulaC24H40N2O6Si
Molecular Weight480.68 g/mol
Exact Mass480.27
IUPAC Nameprop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOC[C@H]1C=C(C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H40N2O6Si/c1-9-11-31-23(29)26-10-12-30-15-18(26)13-16(2)20(27)14-19-21(22(28)25-19)17(3)32-33(7,8)24(4,5)6/h9,13,17-19,21H,1,10-12,14-15H2,2-8H3,(H,25,28)/t17-,18-,19-,21-/m1/s1
InChIKeySQHWTUPOAOHBGC-ANTGDGSKSA-N
XLogP3.44
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.68
LogP ≤ 53.44
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 (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate?
The IUPAC name of prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate (CID 57149371) is prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate.
What is the SMILES notation for prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate?
The canonical SMILES for prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate is C=CCOC(=O)N1CCOC[C@H]1C=C(C)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate?
The InChIKey is SQHWTUPOAOHBGC-ANTGDGSKSA-N. The full InChI is InChI=1S/C24H40N2O6Si/c1-9-11-31-23(29)26-10-12-30-15-18(26)13-16(2)20(27)14-19-21(22(28)25-19)17(3)32-33(7,8)24(4,5)6/h9,13,17-19,21H,1,10-12,14-15H2,2-8H3,(H,25,28)/t17-,18-,19-,21-/m1/s1.
What are the key properties of prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate?
prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate has a molecular weight of 480.68 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (3R)-3-[4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobut-1-enyl]morpholine-4-carboxylate is sourced from PubChem (CID 57149371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).