methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate

C11H23NO3Si — CID 53302300

IUPACmethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
SMILESCOC(=O)[C@H]1NC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23NO3Si/c1-11(2,3)16(5,6)15-8-7-12-9(8)10(13)14-4/h8-9,12H,7H2,1-6H3/t8-,9-/m0/s1
InChIKeyJAQPWRGPRSIZNM-IUCAKERBSA-N
MW245.39 g/mol
LogP1.52
Rot. Bonds3

About methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate

methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate (PubChem CID 53302300) has the molecular formula C11H23NO3Si and a molecular weight of 245.39 g/mol. Its IUPAC name is methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
PubChem CID53302300
Molecular FormulaC11H23NO3Si
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Namemethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
SMILESCOC(=O)[C@H]1NC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23NO3Si/c1-11(2,3)16(5,6)15-8-7-12-9(8)10(13)14-4/h8-9,12H,7H2,1-6H3/t8-,9-/m0/s1
InChIKeyJAQPWRGPRSIZNM-IUCAKERBSA-N
XLogP1.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate?
The IUPAC name of methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate (CID 53302300) is methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate?
The canonical SMILES for methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate is COC(=O)[C@H]1NC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate?
The InChIKey is JAQPWRGPRSIZNM-IUCAKERBSA-N. The full InChI is InChI=1S/C11H23NO3Si/c1-11(2,3)16(5,6)15-8-7-12-9(8)10(13)14-4/h8-9,12H,7H2,1-6H3/t8-,9-/m0/s1.
What are the key properties of methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate?
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate has a molecular weight of 245.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate is sourced from PubChem (CID 53302300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).