tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

C19H34N2O6Si — CID 68500122

IUPACtert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N2C(=O)COC2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34N2O6Si/c1-18(2,3)26-16(23)20-10-9-13(21-15(22)12-25-17(21)24)14(11-20)27-28(7,8)19(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14-/m0/s1
InChIKeyZVAMUZBHUMUELP-KBPBESRZSA-N
MW414.58 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (PubChem CID 68500122) has the molecular formula C19H34N2O6Si and a molecular weight of 414.58 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
PubChem CID68500122
Molecular FormulaC19H34N2O6Si
Molecular Weight414.58 g/mol
Exact Mass414.22
IUPAC Nametert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N2C(=O)COC2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H34N2O6Si/c1-18(2,3)26-16(23)20-10-9-13(21-15(22)12-25-17(21)24)14(11-20)27-28(7,8)19(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14-/m0/s1
InChIKeyZVAMUZBHUMUELP-KBPBESRZSA-N
XLogP3.37
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
tert-butyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 129407130
tert-butyl (3S,4R)-3-methyl-4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylate
CID 90778389
tert-butyl 3-amino-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 171756063
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
tert-butyl (4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-formylpyrrolidine-1-carboxylate
CID 87184709
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate
CID 162353748
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid
CID 90311649
tert-butyl (3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate
CID 129320006
tert-butyl 3-azido-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 73081086
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropiperidine-1-carboxylate
CID 175554462
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (CID 68500122) is tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N2C(=O)COC2=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The InChIKey is ZVAMUZBHUMUELP-KBPBESRZSA-N. The full InChI is InChI=1S/C19H34N2O6Si/c1-18(2,3)26-16(23)20-10-9-13(21-15(22)12-25-17(21)24)14(11-20)27-28(7,8)19(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate has a molecular weight of 414.58 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68500122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).