tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate

C18H33N3O4Si — CID 171592803

IUPACtert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1COc1cnn(COCC[Si](C)(C)C)c1
InChIInChI=1S/C18H33N3O4Si/c1-18(2,3)25-17(22)21-8-7-15(21)13-24-16-11-19-20(12-16)14-23-9-10-26(4,5)6/h11-12,15H,7-10,13-14H2,1-6H3/t15-/m1/s1
InChIKeyHQKKBOMFBIYGPV-OAHLLOKOSA-N
MW383.57 g/mol
LogP3.58
Rot. Bonds8

About tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate

tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate (PubChem CID 171592803) has the molecular formula C18H33N3O4Si and a molecular weight of 383.57 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate
PubChem CID171592803
Molecular FormulaC18H33N3O4Si
Molecular Weight383.57 g/mol
Exact Mass383.22
IUPAC Nametert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1COc1cnn(COCC[Si](C)(C)C)c1
InChIInChI=1S/C18H33N3O4Si/c1-18(2,3)25-17(22)21-8-7-15(21)13-24-16-11-19-20(12-16)14-23-9-10-26(4,5)6/h11-12,15H,7-10,13-14H2,1-6H3/t15-/m1/s1
InChIKeyHQKKBOMFBIYGPV-OAHLLOKOSA-N
XLogP3.58
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate
CID 171592876
tert-butyl 2-(phenoxymethyl)azetidine-1-carboxylate
CID 57454928
tert-butyl (2S)-2-[(5-trimethylstannyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10574471
tert-butyl (2S)-2-[(5-chloro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10780459
tert-butyl (1R,4R)-5-[[1-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 167459931
2-chloro-5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]pyridine-3-carboxylic acid
CID 54220085
tert-butyl (2S)-2-[[6-(difluoromethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 21345219
tert-butyl 2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67201133
tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate
CID 18391695
tert-butyl (2S)-2-[(5-ethynyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 56595566
tert-butyl (2S)-2-[[5-(2-oxoethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 59371356
tert-butyl (2S)-2-[[6-(fluoromethyl)-5-methyl-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 54040757

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate (CID 171592803) is tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1COc1cnn(COCC[Si](C)(C)C)c1.
What is the InChIKey of tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate?
The InChIKey is HQKKBOMFBIYGPV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H33N3O4Si/c1-18(2,3)25-17(22)21-8-7-15(21)13-24-16-11-19-20(12-16)14-23-9-10-26(4,5)6/h11-12,15H,7-10,13-14H2,1-6H3/t15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate?
tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate has a molecular weight of 383.57 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 171592803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).