tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate

C19H29NO4Si — CID 139774647

IUPACtert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate
SMILESCc1ccc([C@@H]2N(C(=O)OC(C)(C)C)C(=O)[C@]2(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C19H29NO4Si/c1-13-9-11-14(12-10-13)15-19(5,24-25(6,7)8)16(21)20(15)17(22)23-18(2,3)4/h9-12,15H,1-8H3/t15-,19+/m0/s1
InChIKeyLAWQVRUEAFQAGX-HNAYVOBHSA-N
MW363.53 g/mol
LogP4.42
Rot. Bonds3

About tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate

tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate (PubChem CID 139774647) has the molecular formula C19H29NO4Si and a molecular weight of 363.53 g/mol. Its IUPAC name is tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate
PubChem CID139774647
Molecular FormulaC19H29NO4Si
Molecular Weight363.53 g/mol
Exact Mass363.19
IUPAC Nametert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate
SMILESCc1ccc([C@@H]2N(C(=O)OC(C)(C)C)C(=O)[C@]2(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C19H29NO4Si/c1-13-9-11-14(12-10-13)15-19(5,24-25(6,7)8)16(21)20(15)17(22)23-18(2,3)4/h9-12,15H,1-8H3/t15-,19+/m0/s1
InChIKeyLAWQVRUEAFQAGX-HNAYVOBHSA-N
XLogP4.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.42
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

tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 101218621
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-methylphenyl)aziridine-1-carboxylate
CID 58488231
tert-butyl 2-(4-cyanophenyl)-3-methoxy-3-trimethylsilyloxypiperidine-1-carboxylate
CID 11418283
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093
tert-butyl (2S)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 101333766
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (2R,3S)-2-formyl-3-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 131873358
tert-butyl 3-(aminomethyl)-2-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 84814865
tert-butyl (1R)-1-(4-methylphenyl)-4-oxo-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 58725228
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
(2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67159799
tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate
CID 11059954

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate (CID 139774647) is tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate is Cc1ccc([C@@H]2N(C(=O)OC(C)(C)C)C(=O)[C@]2(C)O[Si](C)(C)C)cc1.
What is the InChIKey of tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate?
The InChIKey is LAWQVRUEAFQAGX-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H29NO4Si/c1-13-9-11-14(12-10-13)15-19(5,24-25(6,7)8)16(21)20(15)17(22)23-18(2,3)4/h9-12,15H,1-8H3/t15-,19+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate?
tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate has a molecular weight of 363.53 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-3-trimethylsilyloxyazetidine-1-carboxylate is sourced from PubChem (CID 139774647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).