tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate

C21H33NO4Si — CID 101218621

IUPACtert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C21H33NO4Si/c1-19(2,3)25-18(24)22-16(15-13-11-10-12-14-15)21(7,17(22)23)26-27(8,9)20(4,5)6/h10-14,16H,1-9H3/t16-,21+/m0/s1
InChIKeyOQIJUWBJJQSUST-HRAATJIYSA-N
MW391.58 g/mol
LogP5.29
Rot. Bonds3

About tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate

tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate (PubChem CID 101218621) has the molecular formula C21H33NO4Si and a molecular weight of 391.58 g/mol. Its IUPAC name is tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
PubChem CID101218621
Molecular FormulaC21H33NO4Si
Molecular Weight391.58 g/mol
Exact Mass391.22
IUPAC Nametert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C21H33NO4Si/c1-19(2,3)25-18(24)22-16(15-13-11-10-12-14-15)21(7,17(22)23)26-27(8,9)20(4,5)6/h10-14,16H,1-9H3/t16-,21+/m0/s1
InChIKeyOQIJUWBJJQSUST-HRAATJIYSA-N
XLogP5.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate
CID 139774647
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl 2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-5-oxo-2H-pyrrole-1-carboxylate
CID 102519191
tert-butyl (2S)-6-ethyl-6-methyl-4-oxo-2-phenyl-1,3-oxazinane-3-carboxylate
CID 101004794
3-O-tert-butyl 4-O-methyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-3,4-dicarboxylate
CID 102207772
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-4-oxoazetidine-1-carboxylate
CID 11421732
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-4-(4-phenylmethoxyphenyl)-2H-pyrrole-1-carboxylate
CID 57160145
tert-butyl (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
CID 154598023
tert-butyl (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
CID 86596335

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate (CID 101218621) is tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate?
The InChIKey is OQIJUWBJJQSUST-HRAATJIYSA-N. The full InChI is InChI=1S/C21H33NO4Si/c1-19(2,3)25-18(24)22-16(15-13-11-10-12-14-15)21(7,17(22)23)26-27(8,9)20(4,5)6/h10-14,16H,1-9H3/t16-,21+/m0/s1.
What are the key properties of tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate?
tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate has a molecular weight of 391.58 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate is sourced from PubChem (CID 101218621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).