methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate

C23H51NO6Si4 — CID 162417426

IUPACmethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate
SMILESCOC(=O)C(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C23H51NO6Si4/c1-22(2,3)29-20(26)24(21(27)30-23(4,5)6)18(19(25)28-7)17-34(31(8,9)10,32(11,12)13)33(14,15)16/h18H,17H2,1-16H3
InChIKeyLUAJKOUVWPGMKS-UHFFFAOYSA-N
MW550.01 g/mol
LogP6.40
Rot. Bonds7

About methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate

methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate (PubChem CID 162417426) has the molecular formula C23H51NO6Si4 and a molecular weight of 550.01 g/mol. Its IUPAC name is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate.

Molecular Properties

Compound Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate
PubChem CID162417426
Molecular FormulaC23H51NO6Si4
Molecular Weight550.01 g/mol
Exact Mass549.28
IUPAC Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate
SMILESCOC(=O)C(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C23H51NO6Si4/c1-22(2,3)29-20(26)24(21(27)30-23(4,5)6)18(19(25)28-7)17-34(31(8,9)10,32(11,12)13)33(14,15)16/h18H,17H2,1-16H3
InChIKeyLUAJKOUVWPGMKS-UHFFFAOYSA-N
XLogP6.40
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.01
LogP ≤ 56.40
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
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate
CID 162417421
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
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
1-O-tert-butyl 2-O-methyl (2R)-4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate
CID 58427035
O1-tert-butyl O2-methyl (2R)-4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate
CID 76783339
O1-tert-butyl O5-methyl (5S)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 85248502
2-trimethylsilylethyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 10851990
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoate
CID 11087017

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate?
The IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate (CID 162417426) is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate.
What is the SMILES notation for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate?
The canonical SMILES for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate is COC(=O)C(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)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-tris(trimethylsilyl)silylpropanoate?
The InChIKey is LUAJKOUVWPGMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO6Si4/c1-22(2,3)29-20(26)24(21(27)30-23(4,5)6)18(19(25)28-7)17-34(31(8,9)10,32(11,12)13)33(14,15)16/h18H,17H2,1-16H3.
What are the key properties of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate?
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tris(trimethylsilyl)silylpropanoate has a molecular weight of 550.01 g/mol, XLogP of 6.40, 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-tris(trimethylsilyl)silylpropanoate is sourced from PubChem (CID 162417426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).