methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate

C20H39NO6Si — CID 162417421

IUPACmethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate
SMILESCC[Si](CC)(CC)CC(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO6Si/c1-11-28(12-2,13-3)14-15(16(22)25-10)21(17(23)26-19(4,5)6)18(24)27-20(7,8)9/h15H,11-14H2,1-10H3
InChIKeyUHXSBUINLUXICQ-UHFFFAOYSA-N
MW417.62 g/mol
LogP5.21
Rot. Bonds7

About methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate

methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate (PubChem CID 162417421) has the molecular formula C20H39NO6Si and a molecular weight of 417.62 g/mol. Its IUPAC name is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate.

Molecular Properties

Compound Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate
PubChem CID162417421
Molecular FormulaC20H39NO6Si
Molecular Weight417.62 g/mol
Exact Mass417.25
IUPAC Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate
SMILESCC[Si](CC)(CC)CC(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO6Si/c1-11-28(12-2,13-3)14-15(16(22)25-10)21(17(23)26-19(4,5)6)18(24)27-20(7,8)9/h15H,11-14H2,1-10H3
InChIKeyUHXSBUINLUXICQ-UHFFFAOYSA-N
XLogP5.21
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.62
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-tert-butyl 5-methyl (5R)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 10730990
Ethyl (R)-1-Boc-3,3-dimethyl-1,3-azasilolidine-5-carboxylate
CID 132560106
methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate
CID 146165396
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate
CID 162417422
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[cyclohexyl(dimethyl)silyl]propanoate
CID 162417423
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-trioctylsilylpropanoate
CID 162417424
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate
CID 162417426
2-Trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate
CID 11004564
1-(Tert-butyl) 5-methyl (S)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 10802244
methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 15228381
methyl (2R)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanoate
CID 18652571
Methyl 2-(tert-butoxycarbonyl(methyl)amino)propanoate
CID 19608616

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate?
The IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate (CID 162417421) is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate.
What is the SMILES notation for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate?
The canonical SMILES for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate is CC[Si](CC)(CC)CC(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate?
The InChIKey is UHXSBUINLUXICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO6Si/c1-11-28(12-2,13-3)14-15(16(22)25-10)21(17(23)26-19(4,5)6)18(24)27-20(7,8)9/h15H,11-14H2,1-10H3.
What are the key properties of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate?
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate has a molecular weight of 417.62 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate is sourced from PubChem (CID 162417421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).