benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate

C24H33NO4Si — CID 134924837

IUPACbenzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1N(C(=O)OCc2ccccc2)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C24H33NO4Si/c1-23(2,3)30(4,5)29-17-21-24(27,20-14-10-7-11-15-20)18-25(21)22(26)28-16-19-12-8-6-9-13-19/h6-15,21,27H,16-18H2,1-5H3/t21-,24+/m0/s1
InChIKeyACWNMPUZLZSRPO-XUZZJYLKSA-N
MW427.62 g/mol
LogP4.92
Rot. Bonds6

About benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate

benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate (PubChem CID 134924837) has the molecular formula C24H33NO4Si and a molecular weight of 427.62 g/mol. Its IUPAC name is benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate
PubChem CID134924837
Molecular FormulaC24H33NO4Si
Molecular Weight427.62 g/mol
Exact Mass427.22
IUPAC Namebenzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1N(C(=O)OCc2ccccc2)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C24H33NO4Si/c1-23(2,3)30(4,5)29-17-21-24(27,20-14-10-7-11-15-20)18-25(21)22(26)28-16-19-12-8-6-9-13-19/h6-15,21,27H,16-18H2,1-5H3/t21-,24+/m0/s1
InChIKeyACWNMPUZLZSRPO-XUZZJYLKSA-N
XLogP4.92
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate 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

Benzyl 3-hydroxy-3-phenylazetidine-1-carboxylate
CID 10826827
tert-Butyl 2-(1-((benzyloxy)carbonyl)-3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
CID 59469243
Benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
CID 122586117
Benzyl 3-phenyl-3-trimethylsilyloxyazetidine-1-carboxylate
CID 10498429
benzyl (2S,3S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate
CID 10874140
(4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11179509
(4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11225000
(4S)-tert-Butyl 4-(hydroxydiphenylmethyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11783928
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 44179088
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypiperidine-1-carboxylate
CID 54598007
(4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101184735
(4S)-3-[(4R)-4-hydroxy-3-trimethylsilylhepta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101184737

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate?
The IUPAC name of benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate (CID 134924837) is benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate is CC(C)(C)[Si](C)(C)OC[C@@H]1N(C(=O)OCc2ccccc2)C[C@@]1(O)c1ccccc1.
What is the InChIKey of benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate?
The InChIKey is ACWNMPUZLZSRPO-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H33NO4Si/c1-23(2,3)30(4,5)29-17-21-24(27,20-14-10-7-11-15-20)18-25(21)22(26)28-16-19-12-8-6-9-13-19/h6-15,21,27H,16-18H2,1-5H3/t21-,24+/m0/s1.
What are the key properties of benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate?
benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate has a molecular weight of 427.62 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate is sourced from PubChem (CID 134924837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).