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

C20H38N2O5Si — CID 18724098

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]1(O)C[C@@H]1CCNC1=O
InChIInChI=1S/C20H38N2O5Si/c1-18(2,3)26-17(24)22-13-15(27-28(7,8)19(4,5)6)12-20(22,25)11-14-9-10-21-16(14)23/h14-15,25H,9-13H2,1-8H3,(H,21,23)/t14-,15+,20-/m0/s1
InChIKeyRATDNCHEPCEEHZ-MDOVXXIYSA-N
MW414.62 g/mol
LogP3.23
Rot. Bonds4

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

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 18724098) has the molecular formula C20H38N2O5Si and a molecular weight of 414.62 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID18724098
Molecular FormulaC20H38N2O5Si
Molecular Weight414.62 g/mol
Exact Mass414.25
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]1(O)C[C@@H]1CCNC1=O
InChIInChI=1S/C20H38N2O5Si/c1-18(2,3)26-17(24)22-13-15(27-28(7,8)19(4,5)6)12-20(22,25)11-14-9-10-21-16(14)23/h14-15,25H,9-13H2,1-8H3,(H,21,23)/t14-,15+,20-/m0/s1
InChIKeyRATDNCHEPCEEHZ-MDOVXXIYSA-N
XLogP3.23
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 53.23
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-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate (CID 18724098) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]1(O)C[C@@H]1CCNC1=O.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is RATDNCHEPCEEHZ-MDOVXXIYSA-N. The full InChI is InChI=1S/C20H38N2O5Si/c1-18(2,3)26-17(24)22-13-15(27-28(7,8)19(4,5)6)12-20(22,25)11-14-9-10-21-16(14)23/h14-15,25H,9-13H2,1-8H3,(H,21,23)/t14-,15+,20-/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 414.62 g/mol, XLogP of 3.23, 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-hydroxy-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 18724098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).