tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate

C22H41NO6Si — CID 54756703

IUPACtert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(=O)OCC(=O)C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-16(24)27-15-17(25)14-22(8,29-30(9,10)21(5,6)7)18-12-11-13-23(18)19(26)28-20(2,3)4/h18H,11-15H2,1-10H3/t18-,22+/m0/s1
InChIKeyWMZKNDOPYYJQMK-PGRDOPGGSA-N
MW443.66 g/mol
LogP4.69
Rot. Bonds7

About tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 54756703) has the molecular formula C22H41NO6Si and a molecular weight of 443.66 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate
PubChem CID54756703
Molecular FormulaC22H41NO6Si
Molecular Weight443.66 g/mol
Exact Mass443.27
IUPAC Nametert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(=O)OCC(=O)C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-16(24)27-15-17(25)14-22(8,29-30(9,10)21(5,6)7)18-12-11-13-23(18)19(26)28-20(2,3)4/h18H,11-15H2,1-10H3/t18-,22+/m0/s1
InChIKeyWMZKNDOPYYJQMK-PGRDOPGGSA-N
XLogP4.69
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2,4-dimethyl-3-oxo-4-trimethylsilyloxypentyl]pyrrolidine-1-carboxylate
CID 11003600
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 162400570
tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate
CID 25112311
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 102168425

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate (CID 54756703) is tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate is CC(=O)OCC(=O)C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is WMZKNDOPYYJQMK-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H41NO6Si/c1-16(24)27-15-17(25)14-22(8,29-30(9,10)21(5,6)7)18-12-11-13-23(18)19(26)28-20(2,3)4/h18H,11-15H2,1-10H3/t18-,22+/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 443.66 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2R)-5-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxy-4-oxopentan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 54756703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).