1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate

C18H35NO5Si — CID 59754326

IUPAC1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-16(2,3)23-15(21)19-12-11-13(18(19,7)14(20)22-8)24-25(9,10)17(4,5)6/h13H,11-12H2,1-10H3/t13-,18-/m0/s1
InChIKeyHPKZCZMEXRGWSW-UGSOOPFHSA-N
MW373.57 g/mol
LogP3.95
Rot. Bonds3

About 1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate (PubChem CID 59754326) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate
PubChem CID59754326
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-16(2,3)23-15(21)19-12-11-13(18(19,7)14(20)22-8)24-25(9,10)17(4,5)6/h13H,11-12H2,1-10H3/t13-,18-/m0/s1
InChIKeyHPKZCZMEXRGWSW-UGSOOPFHSA-N
XLogP3.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate (CID 59754326) is 1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate is COC(=O)[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate?
The InChIKey is HPKZCZMEXRGWSW-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-16(2,3)23-15(21)19-12-11-13(18(19,7)14(20)22-8)24-25(9,10)17(4,5)6/h13H,11-12H2,1-10H3/t13-,18-/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate has a molecular weight of 373.57 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 59754326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).