tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate

C17H33NO4Si — CID 15546068

IUPACtert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
SMILESC[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-12-10-14(19)18(15(20)22-16(2,3)4)13(12)11-21-23(8,9)17(5,6)7/h12-13H,10-11H2,1-9H3/t12-,13+/m0/s1
InChIKeyQUVZXBSWIPSJJC-QWHCGFSZSA-N
MW343.54 g/mol
LogP4.18
Rot. Bonds3

About tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 15546068) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
PubChem CID15546068
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Nametert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
SMILESC[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-12-10-14(19)18(15(20)22-16(2,3)4)13(12)11-21-23(8,9)17(5,6)7/h12-13H,10-11H2,1-9H3/t12-,13+/m0/s1
InChIKeyQUVZXBSWIPSJJC-QWHCGFSZSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.18
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 tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate (CID 15546068) is tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate is C[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is QUVZXBSWIPSJJC-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-12-10-14(19)18(15(20)22-16(2,3)4)13(12)11-21-23(8,9)17(5,6)7/h12-13H,10-11H2,1-9H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 343.54 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 15546068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).