benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate

C26H35NO4Si — CID 15479399

IUPACbenzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
SMILESCC(C)[Si](O[C@H]1C(=O)N(C(=O)OCc2ccccc2)[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H35NO4Si/c1-18(2)32(19(3)4,20(5)6)31-24-23(22-15-11-8-12-16-22)27(25(24)28)26(29)30-17-21-13-9-7-10-14-21/h7-16,18-20,23-24H,17H2,1-6H3/t23-,24+/m0/s1
InChIKeyDXRKQLOVKSJKQF-BJKOFHAPSA-N
MW453.66 g/mol
LogP6.47
Rot. Bonds8

About benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate

benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate (PubChem CID 15479399) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
PubChem CID15479399
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Namebenzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
SMILESCC(C)[Si](O[C@H]1C(=O)N(C(=O)OCc2ccccc2)[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H35NO4Si/c1-18(2)32(19(3)4,20(5)6)31-24-23(22-15-11-8-12-16-22)27(25(24)28)26(29)30-17-21-13-9-7-10-14-21/h7-16,18-20,23-24H,17H2,1-6H3/t23-,24+/m0/s1
InChIKeyDXRKQLOVKSJKQF-BJKOFHAPSA-N
XLogP6.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.66
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R,4S)-2-oxo-4-(4-phenylmethoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
CID 57297187
(3R,4S)-1-(3,3-dimethylbutanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57029384
(3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57102030
benzyl (3S)-2-oxo-5-[(4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidine-1-carboxylate
CID 16665734
benzyl 2-hydroxy-5-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
CID 141135408
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl 2-amino-5-oxo-4-phenyl-4H-imidazole-3-carboxylate
CID 15054177
benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
CID 54512458
1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
CID 15215130
benzyl (4S)-2,5-dioxo-4-(1-phenylmethoxyethyl)-1,3-oxazolidine-3-carboxylate
CID 164676169
dibenzyl 2,5-dioxo-3,6-bis(3-oxobutyl)piperazine-1,4-dicarboxylate
CID 59837887
benzyl (2R)-5-oxo-2-(phenylmethoxymethyl)-2H-pyrrole-1-carboxylate
CID 102577660

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
The IUPAC name of benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate (CID 15479399) is benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate.
What is the SMILES notation for benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
The canonical SMILES for benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate is CC(C)[Si](O[C@H]1C(=O)N(C(=O)OCc2ccccc2)[C@H]1c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
The InChIKey is DXRKQLOVKSJKQF-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-18(2)32(19(3)4,20(5)6)31-24-23(22-15-11-8-12-16-22)27(25(24)28)26(29)30-17-21-13-9-7-10-14-21/h7-16,18-20,23-24H,17H2,1-6H3/t23-,24+/m0/s1.
What are the key properties of benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate has a molecular weight of 453.66 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate is sourced from PubChem (CID 15479399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).