dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate

C19H35NO7Si — CID 10002054

IUPACdimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](OC(C)=O)CC[C@@H](CCO[Si](C)(C)C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C19H35NO7Si/c1-13(21)27-15-10-9-14(11-12-26-28(7,8)19(2,3)4)20(18(23)25-6)16(15)17(22)24-5/h14-16H,9-12H2,1-8H3/t14-,15-,16+/m0/s1
InChIKeyXYMBAMGJXFLCIT-HRCADAONSA-N
MW417.58 g/mol
LogP3.10
Rot. Bonds6

About dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate

dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate (PubChem CID 10002054) has the molecular formula C19H35NO7Si and a molecular weight of 417.58 g/mol. Its IUPAC name is dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
PubChem CID10002054
Molecular FormulaC19H35NO7Si
Molecular Weight417.58 g/mol
Exact Mass417.22
IUPAC Namedimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](OC(C)=O)CC[C@@H](CCO[Si](C)(C)C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C19H35NO7Si/c1-13(21)27-15-10-9-14(11-12-26-28(7,8)19(2,3)4)20(18(23)25-6)16(15)17(22)24-5/h14-16H,9-12H2,1-8H3/t14-,15-,16+/m0/s1
InChIKeyXYMBAMGJXFLCIT-HRCADAONSA-N
XLogP3.10
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140907186
dimethyl (2S)-5,6-diacetyloxypiperidine-1,2-dicarboxylate
CID 11130914
methyl (2S,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)piperidine-1-carboxylate
CID 10918999
tert-butyl (2S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-(5-dimethoxyphosphoryl-4-oxopentyl)piperidine-1-carboxylate
CID 134949806
methyl 7-[(1R,2S,5S)-2-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]heptanoate
CID 58749584
1-O-tert-butyl 2-O-methyl 3-acetyloxypiperidine-1,2-dicarboxylate
CID 139572753
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 70435747
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxothiane-2-carboxylate
CID 139700390
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid
CID 175321794
tert-butyl (2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxypiperidine-1-carboxylate
CID 11845978
tert-butyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolidine-1-carboxylate
CID 162403149

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate (CID 10002054) is dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate is COC(=O)[C@H]1[C@@H](OC(C)=O)CC[C@@H](CCO[Si](C)(C)C(C)(C)C)N1C(=O)OC.
What is the InChIKey of dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate?
The InChIKey is XYMBAMGJXFLCIT-HRCADAONSA-N. The full InChI is InChI=1S/C19H35NO7Si/c1-13(21)27-15-10-9-14(11-12-26-28(7,8)19(2,3)4)20(18(23)25-6)16(15)17(22)24-5/h14-16H,9-12H2,1-8H3/t14-,15-,16+/m0/s1.
What are the key properties of dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate?
dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate has a molecular weight of 417.58 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate is sourced from PubChem (CID 10002054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).