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

C16H30FNO4Si — CID 101170046

IUPACtert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](F)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30FNO4Si/c1-15(2,3)22-14(20)18-11(9-12(17)13(18)19)10-21-23(7,8)16(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1
InChIKeyFKYQCOHYCOUTQW-NWDGAFQWSA-N
MW347.50 g/mol
LogP3.88
Rot. Bonds3

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

tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate (PubChem CID 101170046) has the molecular formula C16H30FNO4Si and a molecular weight of 347.50 g/mol. Its IUPAC name is tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate
PubChem CID101170046
Molecular FormulaC16H30FNO4Si
Molecular Weight347.50 g/mol
Exact Mass347.19
IUPAC Nametert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](F)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30FNO4Si/c1-15(2,3)22-14(20)18-11(9-12(17)13(18)19)10-21-23(7,8)16(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1
InChIKeyFKYQCOHYCOUTQW-NWDGAFQWSA-N
XLogP3.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 142327858
methyl (2R,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 175241790
tert-butyl (2S)-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 10331392
tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
CID 135018918
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dioxopyrrolidine-1-carboxylate
CID 135019366
tert-butyl (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 11203003
tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 11398108
tert-butyl (3R,5S)-3-fluoro-5-(methoxymethyl)-2-oxopyrrolidine-1-carboxylate
CID 101170047
tert-butyl (3Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(fluoromethylidene)-2-oxopyrrolidine-1-carboxylate
CID 101735151
Pyroglutamic acid, N-isoBOC TBDMS
CID 6430000
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 10568516

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate (CID 101170046) is tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](F)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate?
The InChIKey is FKYQCOHYCOUTQW-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H30FNO4Si/c1-15(2,3)22-14(20)18-11(9-12(17)13(18)19)10-21-23(7,8)16(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate has a molecular weight of 347.50 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 101170046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).