(3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one

C18H33NO2SeSi — CID 101480983

IUPAC(3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one
SMILESC=CC[Se][C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(C)C=C
InChIInChI=1S/C18H33NO2SeSi/c1-10-12-22-17-15(16(20)19(17)13(3)11-2)14(4)21-23(8,9)18(5,6)7/h10-11,13-15,17H,1-2,12H2,3-9H3/t13?,14-,15+,17-/m1/s1
InChIKeyCRGSMFQCWRAWAD-UCMJJCQDSA-N
MW402.51 g/mol
LogP4.06
Rot. Bonds8

About (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one

(3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one (PubChem CID 101480983) has the molecular formula C18H33NO2SeSi and a molecular weight of 402.51 g/mol. Its IUPAC name is (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one
PubChem CID101480983
Molecular FormulaC18H33NO2SeSi
Molecular Weight402.51 g/mol
Exact Mass403.14
IUPAC Name(3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one
SMILESC=CC[Se][C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(C)C=C
InChIInChI=1S/C18H33NO2SeSi/c1-10-12-22-17-15(16(20)19(17)13(3)11-2)14(4)21-23(8,9)18(5,6)7/h10-11,13-15,17H,1-2,12H2,3-9H3/t13?,14-,15+,17-/m1/s1
InChIKeyCRGSMFQCWRAWAD-UCMJJCQDSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-prop-2-enylazetidin-1-yl]pent-4-enoate
CID 10550231
prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-sulfanylazetidin-1-yl]acetate
CID 10926469
prop-2-enyl (2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 11732541
(5R,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 177385780
prop-2-enyl (4R,5R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 102411898
methyl 2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2,5-dioxopyrrolidin-1-yl)sulfanyl-4-oxoazetidin-1-yl]but-3-enoate
CID 88662950
(6S,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-ethenyl-1-azabicyclo[4.2.0]oct-4-en-8-one
CID 11220537
O-prop-2-enyl (5R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carbothioate
CID 139601889
(2R)-2-[(2R,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 10938209
(2R)-2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanal
CID 11069396
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-N-phenyl-4-prop-2-enylazetidine-1-carbothioamide
CID 122387179
prop-2-enyl (4R,5R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-7-oxo-3-trimethylsilyloxy-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 10456599

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one?
The IUPAC name of (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one (CID 101480983) is (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one is C=CC[Se][C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(C)C=C.
What is the InChIKey of (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one?
The InChIKey is CRGSMFQCWRAWAD-UCMJJCQDSA-N. The full InChI is InChI=1S/C18H33NO2SeSi/c1-10-12-22-17-15(16(20)19(17)13(3)11-2)14(4)21-23(8,9)18(5,6)7/h10-11,13-15,17H,1-2,12H2,3-9H3/t13?,14-,15+,17-/m1/s1.
What are the key properties of (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one?
(3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one has a molecular weight of 402.51 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-but-3-en-2-yl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-prop-2-enylselanylazetidin-2-one is sourced from PubChem (CID 101480983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).