tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate

C23H37NO4Si — CID 58051377

IUPACtert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](Cc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)28-21(26)24-19(16-27-29(7,8)23(4,5)6)18(15-20(24)25)14-17-12-10-9-11-13-17/h9-13,18-19H,14-16H2,1-8H3/t18-,19+/m0/s1
InChIKeyNXLSUKWIHJOGOR-RBUKOAKNSA-N
MW419.64 g/mol
LogP5.40
Rot. Bonds5

About tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 58051377) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID58051377
Molecular FormulaC23H37NO4Si
Molecular Weight419.64 g/mol
Exact Mass419.25
IUPAC Nametert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](Cc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)28-21(26)24-19(16-27-29(7,8)23(4,5)6)18(15-20(24)25)14-17-12-10-9-11-13-17/h9-13,18-19H,14-16H2,1-8H3/t18-,19+/m0/s1
InChIKeyNXLSUKWIHJOGOR-RBUKOAKNSA-N
XLogP5.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate with MolForge

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Related Compounds

(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
(2S,4R)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 16218762
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(fluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111284
benzyl (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(fluoromethyl)-2-oxopyrrolidine-1-carboxylate
CID 91451662
(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one
CID 14935662
tert-butyl 2-[(1S,5R)-5-[(1R,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropyl]cyclopent-2-en-1-yl]acetate
CID 71479947
(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,3E)-2-benzyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 11495484
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
(4S)-4-Benzyl-3-[(2R,3S)-2,4-dimethyl-3-(trimethylsiloxy) pent-4-enoyl)]-oxazolidin-2-one
CID 53470471
(4S)-3-[4-(t-butyldimethylsilyloxy)butanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 54671782
(4R)-4-benzyl-3-[(2R,3E)-2-methyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 57801802

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (CID 58051377) is tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@H](Cc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is NXLSUKWIHJOGOR-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-22(2,3)28-21(26)24-19(16-27-29(7,8)23(4,5)6)18(15-20(24)25)14-17-12-10-9-11-13-17/h9-13,18-19H,14-16H2,1-8H3/t18-,19+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 419.64 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 58051377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).