tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate

C26H45NO5Si2 — CID 10839353

IUPACtert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate
SMILESC[C@@H](O)[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C26H45NO5Si2/c1-18(28)21-22(33(8,9)19-15-13-12-14-16-19)20(17-31-34(10,11)26(5,6)7)27(23(21)29)24(30)32-25(2,3)4/h12-16,18,20-22,28H,17H2,1-11H3/t18-,20-,21+,22-/m1/s1
InChIKeyDWXATIDBZXESPV-PSWRPDDJSA-N
MW507.82 g/mol
LogP5.14
Rot. Bonds6

About tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 10839353) has the molecular formula C26H45NO5Si2 and a molecular weight of 507.82 g/mol. Its IUPAC name is tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID10839353
Molecular FormulaC26H45NO5Si2
Molecular Weight507.82 g/mol
Exact Mass507.28
IUPAC Nametert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate
SMILESC[C@@H](O)[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C26H45NO5Si2/c1-18(28)21-22(33(8,9)19-15-13-12-14-16-19)20(17-31-34(10,11)26(5,6)7)27(23(21)29)24(30)32-25(2,3)4/h12-16,18,20-22,28H,17H2,1-11H3/t18-,20-,21+,22-/m1/s1
InChIKeyDWXATIDBZXESPV-PSWRPDDJSA-N
XLogP5.14
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.82
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4R)-4-benzyl-3-[(2R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11112627
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 21681573
(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 10851289
(4R)-4-benzyl-3-[(2R,3S,4R,5R)-3-hydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one
CID 10962013
(4R)-4-benzyl-3-[(2R,3S,4S,5R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-8-methoxy-2,4-dimethyloctanoyl]-1,3-oxazolidin-2-one
CID 11145791
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate
CID 11465570
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111281
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one
CID 25186473
(4R)-4-benzyl-3-[(2R,3S,5R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoyl]-1,3-oxazolidin-2-one
CID 54578142
tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate
CID 134920326
(4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 134972885

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate (CID 10839353) is tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate is C[C@@H](O)[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is DWXATIDBZXESPV-PSWRPDDJSA-N. The full InChI is InChI=1S/C26H45NO5Si2/c1-18(28)21-22(33(8,9)19-15-13-12-14-16-19)20(17-31-34(10,11)26(5,6)7)27(23(21)29)24(30)32-25(2,3)4/h12-16,18,20-22,28H,17H2,1-11H3/t18-,20-,21+,22-/m1/s1.
What are the key properties of tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 507.82 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10839353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).