tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate

C22H35NO4Si — CID 135019708

IUPACtert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](c2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-21(2,3)27-20(25)23-18(15-26-28(7,8)22(4,5)6)17(14-19(23)24)16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m1/s1
InChIKeyYGXAUASURMTILY-MSOLQXFVSA-N
MW405.61 g/mol
LogP5.33
Rot. Bonds4

About tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate

tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate (PubChem CID 135019708) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate
PubChem CID135019708
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC Nametert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](c2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-21(2,3)27-20(25)23-18(15-26-28(7,8)22(4,5)6)17(14-19(23)24)16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m1/s1
InChIKeyYGXAUASURMTILY-MSOLQXFVSA-N
XLogP5.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate with MolForge

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Related Compounds

2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
(2S,4R)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 16218762
4-Benzyl-3-((1-methoxy-5-methylcyclohexen-4-yl)carbonyl)-2-oxazolidinone
CID 126832
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(fluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111284
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023007
methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
CID 10938316
(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
methyl (3S,4R)-5-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
CID 134905072
methyl (3R,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3,4-dimethyl-5-oxopentanoate
CID 134905839
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-[(2R)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10831768

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate (CID 135019708) is tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@H](c2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate?
The InChIKey is YGXAUASURMTILY-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-21(2,3)27-20(25)23-18(15-26-28(7,8)22(4,5)6)17(14-19(23)24)16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate?
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate has a molecular weight of 405.61 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 135019708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).