tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate

C19H31NO3Si — CID 162402021

IUPACtert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C[C@@H](O[Si](C)(C)C)c2ccccc2)C1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)22-18(21)20-13-15(14-20)12-17(23-24(4,5)6)16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3/t17-/m1/s1
InChIKeyZWHVUCSRLFDJFE-QGZVFWFLSA-N
MW349.55 g/mol
LogP4.84
Rot. Bonds5

About tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate

tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate (PubChem CID 162402021) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate
PubChem CID162402021
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Nametert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C[C@@H](O[Si](C)(C)C)c2ccccc2)C1
InChIInChI=1S/C19H31NO3Si/c1-19(2,3)22-18(21)20-13-15(14-20)12-17(23-24(4,5)6)16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3/t17-/m1/s1
InChIKeyZWHVUCSRLFDJFE-QGZVFWFLSA-N
XLogP4.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(2-chloro-2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
CID 153181556
tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate
CID 166729062
tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
CID 63303236
tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
CID 102672525
tert-butyl 3-[(benzylamino)methyl]azetidine-1-carboxylate
CID 53415255
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
tert-butyl 3-[(2-methylphenyl)methyl]azetidine-1-carboxylate
CID 156785826
tert-butyl (3R,4R)-3-(bromomethyl)-4-(2-phenylethenyl)pyrrolidine-1-carboxylate
CID 57372199
tert-butyl 3-(3-hydroxy-2-methylpropyl)azetidine-1-carboxylate
CID 68759266
tert-butyl 3-[3-oxo-3-(phenylmethoxyamino)propyl]azetidine-1-carboxylate
CID 163275168
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]but-2-enoic acid
CID 174922247
tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate
CID 166149628

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate (CID 162402021) is tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C[C@@H](O[Si](C)(C)C)c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate?
The InChIKey is ZWHVUCSRLFDJFE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-19(2,3)22-18(21)20-13-15(14-20)12-17(23-24(4,5)6)16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3/t17-/m1/s1.
What are the key properties of tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate?
tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate has a molecular weight of 349.55 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate is sourced from PubChem (CID 162402021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).