1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate

C17H31NO6Si — CID 11793755

IUPAC1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H31NO6Si/c1-16(2,3)23-15(21)18-11(14(20)22-7)10-12(13(18)19)24-25(8,9)17(4,5)6/h11-12H,10H2,1-9H3/t11-,12+/m0/s1
InChIKeyHGHGHRORRVDFRJ-NWDGAFQWSA-N
MW373.52 g/mol
LogP3.09
Rot. Bonds3

About 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 11793755) has the molecular formula C17H31NO6Si and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID11793755
Molecular FormulaC17H31NO6Si
Molecular Weight373.52 g/mol
Exact Mass373.19
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H31NO6Si/c1-16(2,3)23-15(21)18-11(14(20)22-7)10-12(13(18)19)24-25(8,9)17(4,5)6/h11-12H,10H2,1-9H3/t11-,12+/m0/s1
InChIKeyHGHGHRORRVDFRJ-NWDGAFQWSA-N
XLogP3.09
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate (CID 11793755) is 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is HGHGHRORRVDFRJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H31NO6Si/c1-16(2,3)23-15(21)18-11(14(20)22-7)10-12(13(18)19)24-25(8,9)17(4,5)6/h11-12H,10H2,1-9H3/t11-,12+/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 373.52 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11793755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).