methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate

C19H33NO7Si — CID 24767707

IUPACmethyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate
SMILESCCN1C(=O)O[C@@H]2CO[C@@H]3C[C@](CO[Si](C)(C)C(C)(C)C)(C(=O)OC)O[C@@H]3[C@@H]21
InChIInChI=1S/C19H33NO7Si/c1-8-20-14-13(26-17(20)22)10-24-12-9-19(16(21)23-5,27-15(12)14)11-25-28(6,7)18(2,3)4/h12-15H,8-11H2,1-7H3/t12-,13-,14-,15+,19+/m1/s1
InChIKeyJLXHMWFBFHDKKO-SXPCIFIFSA-N
MW415.56 g/mol
LogP2.32
Rot. Bonds5

About methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate

methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate (PubChem CID 24767707) has the molecular formula C19H33NO7Si and a molecular weight of 415.56 g/mol. Its IUPAC name is methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate
PubChem CID24767707
Molecular FormulaC19H33NO7Si
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC Namemethyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate
SMILESCCN1C(=O)O[C@@H]2CO[C@@H]3C[C@](CO[Si](C)(C)C(C)(C)C)(C(=O)OC)O[C@@H]3[C@@H]21
InChIInChI=1S/C19H33NO7Si/c1-8-20-14-13(26-17(20)22)10-24-12-9-19(16(21)23-5,27-15(12)14)11-25-28(6,7)18(2,3)4/h12-15H,8-11H2,1-7H3/t12-,13-,14-,15+,19+/m1/s1
InChIKeyJLXHMWFBFHDKKO-SXPCIFIFSA-N
XLogP2.32
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 24766098
tert-butyl 2,2-dimethyl-4-[(R)-[(2S,3S,4S)-5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-trimethylsilyloxymethyl]-1,3-oxazolidine-3-carboxylate
CID 178236
Tert-butyl 2,2-dimethyl-4-[[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-trimethylsilyloxymethyl]-1,3-oxazolidine-3-carboxylate
CID 178357
methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 17759363
methyl (1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 17759364
methyl (2S,3aR,7R,7aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylate
CID 24767283
methyl (1R,2R,6S,9R,11S)-3-ethyl-11-(hydroxymethyl)-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 24767385
methyl (2S,3aR,6R,7R,7aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2,2-dimethylpropanoyloxy)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylate
CID 24767490
methyl (2S,3aR,6R,7R,7aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylate
CID 24767598
3-O-tert-butyl 11-O-methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-3,11-dicarboxylate
CID 24767602
methyl (2S,3aR,6S,7R,7aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylate
CID 24767603
tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59053305

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate?
The IUPAC name of methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate (CID 24767707) is methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate.
What is the SMILES notation for methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate?
The canonical SMILES for methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate is CCN1C(=O)O[C@@H]2CO[C@@H]3C[C@](CO[Si](C)(C)C(C)(C)C)(C(=O)OC)O[C@@H]3[C@@H]21.
What is the InChIKey of methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate?
The InChIKey is JLXHMWFBFHDKKO-SXPCIFIFSA-N. The full InChI is InChI=1S/C19H33NO7Si/c1-8-20-14-13(26-17(20)22)10-24-12-9-19(16(21)23-5,27-15(12)14)11-25-28(6,7)18(2,3)4/h12-15H,8-11H2,1-7H3/t12-,13-,14-,15+,19+/m1/s1.
What are the key properties of methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate?
methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate has a molecular weight of 415.56 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethyl-4-oxo-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-11-carboxylate is sourced from PubChem (CID 24767707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).