benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate

C23H35NO4Si — CID 54512458

IUPACbenzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OCc2ccccc2)[C@H]1C1CCCCC1
InChIInChI=1S/C23H35NO4Si/c1-4-29(5-2,6-3)28-21-20(19-15-11-8-12-16-19)24(22(21)25)23(26)27-17-18-13-9-7-10-14-18/h7,9-10,13-14,19-21H,4-6,8,11-12,15-17H2,1-3H3/t20-,21+/m0/s1
InChIKeyYKCCVXWBQRDVBQ-LEWJYISDSA-N
MW417.62 g/mol
LogP5.50
Rot. Bonds8

About benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate

benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate (PubChem CID 54512458) has the molecular formula C23H35NO4Si and a molecular weight of 417.62 g/mol. Its IUPAC name is benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
PubChem CID54512458
Molecular FormulaC23H35NO4Si
Molecular Weight417.62 g/mol
Exact Mass417.23
IUPAC Namebenzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OCc2ccccc2)[C@H]1C1CCCCC1
InChIInChI=1S/C23H35NO4Si/c1-4-29(5-2,6-3)28-21-20(19-15-11-8-12-16-19)24(22(21)25)23(26)27-17-18-13-9-7-10-14-18/h7,9-10,13-14,19-21H,4-6,8,11-12,15-17H2,1-3H3/t20-,21+/m0/s1
InChIKeyYKCCVXWBQRDVBQ-LEWJYISDSA-N
XLogP5.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.62
LogP ≤ 55.50
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

benzyl (3R,4S)-2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
CID 15479399
benzyl (4S)-2-amino-4-ethyl-5-oxo-4H-imidazole-3-carboxylate
CID 10467824
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate
CID 91277522
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (1S,5S)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 6928656
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl (1S,5R)-3-oxo-2,4-diazabicyclo[3.1.0]hexane-2-carboxylate
CID 11859502

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate (CID 54512458) is benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate is CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OCc2ccccc2)[C@H]1C1CCCCC1.
What is the InChIKey of benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
The InChIKey is YKCCVXWBQRDVBQ-LEWJYISDSA-N. The full InChI is InChI=1S/C23H35NO4Si/c1-4-29(5-2,6-3)28-21-20(19-15-11-8-12-16-19)24(22(21)25)23(26)27-17-18-13-9-7-10-14-18/h7,9-10,13-14,19-21H,4-6,8,11-12,15-17H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate?
benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate has a molecular weight of 417.62 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate is sourced from PubChem (CID 54512458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).