methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate

C20H33NO3Si — CID 11268504

IUPACmethyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-20(2,3)25(5,6)24-18-12-17(13-19(22)23-4)21(15-18)14-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18+/m0/s1
InChIKeyALPJOIISPMHCJO-ZWKOTPCHSA-N
MW363.57 g/mol
LogP4.21
Rot. Bonds6

About methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate

methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate (PubChem CID 11268504) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate
PubChem CID11268504
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Namemethyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-20(2,3)25(5,6)24-18-12-17(13-19(22)23-4)21(15-18)14-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18+/m0/s1
InChIKeyALPJOIISPMHCJO-ZWKOTPCHSA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
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 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate (CID 11268504) is methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate is COC(=O)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1.
What is the InChIKey of methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate?
The InChIKey is ALPJOIISPMHCJO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-20(2,3)25(5,6)24-18-12-17(13-19(22)23-4)21(15-18)14-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18+/m0/s1.
What are the key properties of methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate?
methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate has a molecular weight of 363.57 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]acetate is sourced from PubChem (CID 11268504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).