tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate

C17H35NO5Si — CID 22864998

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)CO
InChIInChI=1S/C17H35NO5Si/c1-16(2,3)22-15(21)18-10-12(9-13(18)14(20)11-19)23-24(7,8)17(4,5)6/h12-14,19-20H,9-11H2,1-8H3/t12-,13+,14?/m1/s1
InChIKeyITIKVJQJZVFHBK-AMIUJLCOSA-N
MW361.56 g/mol
LogP2.74
Rot. Bonds4

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate (PubChem CID 22864998) has the molecular formula C17H35NO5Si and a molecular weight of 361.56 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate
PubChem CID22864998
Molecular FormulaC17H35NO5Si
Molecular Weight361.56 g/mol
Exact Mass361.23
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)CO
InChIInChI=1S/C17H35NO5Si/c1-16(2,3)22-15(21)18-10-12(9-13(18)14(20)11-19)23-24(7,8)17(4,5)6/h12-14,19-20H,9-11H2,1-8H3/t12-,13+,14?/m1/s1
InChIKeyITIKVJQJZVFHBK-AMIUJLCOSA-N
XLogP2.74
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 52.74
H-Bond Donors ≤ 52
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 tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate (CID 22864998) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)CO.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate?
The InChIKey is ITIKVJQJZVFHBK-AMIUJLCOSA-N. The full InChI is InChI=1S/C17H35NO5Si/c1-16(2,3)22-15(21)18-10-12(9-13(18)14(20)11-19)23-24(7,8)17(4,5)6/h12-14,19-20H,9-11H2,1-8H3/t12-,13+,14?/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate has a molecular weight of 361.56 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 22864998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).