tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate

C20H36N2O5Si — CID 10835514

IUPACtert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C\[C@H]1COC(=O)N1
InChIInChI=1S/C20H36N2O5Si/c1-19(2,3)26-18(24)22-12-11-16(27-28(7,8)20(4,5)6)15(22)10-9-14-13-25-17(23)21-14/h9-10,14-16H,11-13H2,1-8H3,(H,21,23)/b10-9-/t14-,15-,16-/m0/s1
InChIKeyAGZKCIKNDBVTFN-QDZDATBCSA-N
MW412.60 g/mol
LogP4.05
Rot. Bonds4

About tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate

tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate (PubChem CID 10835514) has the molecular formula C20H36N2O5Si and a molecular weight of 412.60 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate
PubChem CID10835514
Molecular FormulaC20H36N2O5Si
Molecular Weight412.60 g/mol
Exact Mass412.24
IUPAC Nametert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C\[C@H]1COC(=O)N1
InChIInChI=1S/C20H36N2O5Si/c1-19(2,3)26-18(24)22-12-11-16(27-28(7,8)20(4,5)6)15(22)10-9-14-13-25-17(23)21-14/h9-10,14-16H,11-13H2,1-8H3,(H,21,23)/b10-9-/t14-,15-,16-/m0/s1
InChIKeyAGZKCIKNDBVTFN-QDZDATBCSA-N
XLogP4.05
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 16732142
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 54215964
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 178119932
tert-butyl (2R,3R)-2-(azidomethyl)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 129011342
tert-butyl (2S,3R)-2-(tert-butylcarbamoyl)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 22872710
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 153284032
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate
CID 66604974
1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 159074162
tert-butyl 2-[3-[acetyl-(3-bromo-2-pyridinyl)amino]prop-1-enyl]-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 66809717
tert-butyl (2R,3S)-2-[(1R)-1-azidoethyl]-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 16732282
tert-butyl (2R,3S)-2-[3-(N-acetyl-2-bromo-5-fluoroanilino)prop-1-enyl]-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 66670120
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 174195504

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate (CID 10835514) is tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C\[C@H]1COC(=O)N1.
What is the InChIKey of tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate?
The InChIKey is AGZKCIKNDBVTFN-QDZDATBCSA-N. The full InChI is InChI=1S/C20H36N2O5Si/c1-19(2,3)26-18(24)22-12-11-16(27-28(7,8)20(4,5)6)15(22)10-9-14-13-25-17(23)21-14/h9-10,14-16H,11-13H2,1-8H3,(H,21,23)/b10-9-/t14-,15-,16-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate has a molecular weight of 412.60 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10835514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).