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

C26H51NO6Si — CID 162417422

IUPACmethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate
SMILESCCCC[Si](CCCC)(CCCC)CC(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C26H51NO6Si/c1-11-14-17-34(18-15-12-2,19-16-13-3)20-21(22(28)31-10)27(23(29)32-25(4,5)6)24(30)33-26(7,8)9/h21H,11-20H2,1-10H3
InChIKeyZOKSBXRKYBOXQM-UHFFFAOYSA-N
MW501.78 g/mol
LogP7.55
Rot. Bonds13

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

methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate (PubChem CID 162417422) has the molecular formula C26H51NO6Si and a molecular weight of 501.78 g/mol. Its IUPAC name is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate.

Molecular Properties

Compound Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate
PubChem CID162417422
Molecular FormulaC26H51NO6Si
Molecular Weight501.78 g/mol
Exact Mass501.35
IUPAC Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate
SMILESCCCC[Si](CCCC)(CCCC)CC(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C26H51NO6Si/c1-11-14-17-34(18-15-12-2,19-16-13-3)20-21(22(28)31-10)27(23(29)32-25(4,5)6)24(30)33-26(7,8)9/h21H,11-20H2,1-10H3
InChIKeyZOKSBXRKYBOXQM-UHFFFAOYSA-N
XLogP7.55
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.78
LogP ≤ 57.55
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-triethylsilylpropanoate
CID 162417421
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-tributylsilylpropanoate?
The IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate (CID 162417422) is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate.
What is the SMILES notation for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate?
The canonical SMILES for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate is CCCC[Si](CCCC)(CCCC)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-tributylsilylpropanoate?
The InChIKey is ZOKSBXRKYBOXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO6Si/c1-11-14-17-34(18-15-12-2,19-16-13-3)20-21(22(28)31-10)27(23(29)32-25(4,5)6)24(30)33-26(7,8)9/h21H,11-20H2,1-10H3.
What are the key properties of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate?
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate has a molecular weight of 501.78 g/mol, XLogP of 7.55, 13 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-tributylsilylpropanoate is sourced from PubChem (CID 162417422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).