tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate

C19H37NO4Si — CID 11360757

IUPACtert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate
SMILESCC(=O)CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO4Si/c1-14(21)10-11-15-12-16(24-25(8,9)19(5,6)7)13-20(15)17(22)23-18(2,3)4/h15-16H,10-13H2,1-9H3/t15-,16-/m1/s1
InChIKeyQSRGPXLWZXWXPF-HZPDHXFCSA-N
MW371.59 g/mol
LogP4.76
Rot. Bonds5

About tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate (PubChem CID 11360757) has the molecular formula C19H37NO4Si and a molecular weight of 371.59 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate
PubChem CID11360757
Molecular FormulaC19H37NO4Si
Molecular Weight371.59 g/mol
Exact Mass371.25
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate
SMILESCC(=O)CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO4Si/c1-14(21)10-11-15-12-16(24-25(8,9)19(5,6)7)13-20(15)17(22)23-18(2,3)4/h15-16H,10-13H2,1-9H3/t15-,16-/m1/s1
InChIKeyQSRGPXLWZXWXPF-HZPDHXFCSA-N
XLogP4.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 54.76
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

tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(4,8-dioxooctyl)pyrrolidine-1-carboxylate
CID 134951070
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 162400570
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-formylethyl)pyrrolidine
CID 10498568
tert-Butyl (2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 19427997
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 22864760
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate
CID 22864766
(2S,4R)-4-tert-butyldimethylsiloxy-N-tert-butoxycarbonyl-2-(2-methoxycarbonyl-1-oxoethyl)pyrrolidine
CID 22864984
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methoxy]propyl]pyrrolidine-1-carboxylate
CID 22865004
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 22865009
(2S,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-ethoxycarbonyl)ethylpyrrolidine
CID 22865010
(2S,4R)-N-tert-butoxycarbonyl-2-(2-tert-butoxycarbonyl-1-oxoethyl)-4-tert-butyldimethylsiloxypyrrolidine
CID 22865012

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate (CID 11360757) is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate is CC(=O)CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate?
The InChIKey is QSRGPXLWZXWXPF-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H37NO4Si/c1-14(21)10-11-15-12-16(24-25(8,9)19(5,6)7)13-20(15)17(22)23-18(2,3)4/h15-16H,10-13H2,1-9H3/t15-,16-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate has a molecular weight of 371.59 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11360757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).