methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate

C13H27NO3Si — CID 68931973

IUPACmethyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)CN1
InChIInChI=1S/C13H27NO3Si/c1-13(2,3)18(5,6)17-9-10-7-11(14-8-10)12(15)16-4/h10-11,14H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyAUCYATTZXQUPRC-MNOVXSKESA-N
MW273.45 g/mol
LogP2.16
Rot. Bonds4

About methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate

methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate (PubChem CID 68931973) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
PubChem CID68931973
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Namemethyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)CN1
InChIInChI=1S/C13H27NO3Si/c1-13(2,3)18(5,6)17-9-10-7-11(14-8-10)12(15)16-4/h10-11,14H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyAUCYATTZXQUPRC-MNOVXSKESA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 52.16
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,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate (CID 68931973) is methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)CN1.
What is the InChIKey of methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
The InChIKey is AUCYATTZXQUPRC-MNOVXSKESA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-13(2,3)18(5,6)17-9-10-7-11(14-8-10)12(15)16-4/h10-11,14H,7-9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate has a molecular weight of 273.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 68931973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).