tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate

C19H36N2O4Si — CID 18657887

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCNC1=O
InChIInChI=1S/C19H36N2O4Si/c1-18(2,3)24-17(23)21-12-13(25-26(7,8)19(4,5)6)11-15(21)14-9-10-20-16(14)22/h13-15H,9-12H2,1-8H3,(H,20,22)/t13-,14?,15+/m1/s1
InChIKeyXBUBVBSMSNIUKG-LOWNFYCTSA-N
MW384.59 g/mol
LogP3.52
Rot. Bonds3

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate (PubChem CID 18657887) has the molecular formula C19H36N2O4Si and a molecular weight of 384.59 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate
PubChem CID18657887
Molecular FormulaC19H36N2O4Si
Molecular Weight384.59 g/mol
Exact Mass384.24
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCNC1=O
InChIInChI=1S/C19H36N2O4Si/c1-18(2,3)24-17(23)21-12-13(25-26(7,8)19(4,5)6)11-15(21)14-9-10-20-16(14)22/h13-15H,9-12H2,1-8H3,(H,20,22)/t13-,14?,15+/m1/s1
InChIKeyXBUBVBSMSNIUKG-LOWNFYCTSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
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,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate (CID 18657887) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCNC1=O.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is XBUBVBSMSNIUKG-LOWNFYCTSA-N. The full InChI is InChI=1S/C19H36N2O4Si/c1-18(2,3)24-17(23)21-12-13(25-26(7,8)19(4,5)6)11-15(21)14-9-10-20-16(14)22/h13-15H,9-12H2,1-8H3,(H,20,22)/t13-,14?,15+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 384.59 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 18657887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).