2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate

C19H39NO6Si2 — CID 11004564

IUPAC2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate
SMILESCC(C)(C)OC(=O)N(CC(=O)OCC[Si](C)(C)C)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C19H39NO6Si2/c1-19(2,3)26-18(23)20(14-16(21)24-10-12-27(4,5)6)15-17(22)25-11-13-28(7,8)9/h10-15H2,1-9H3
InChIKeyBEGJKHKUWJYNLE-UHFFFAOYSA-N
MW433.69 g/mol
LogP3.99
Rot. Bonds10

About 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate

2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate (PubChem CID 11004564) has the molecular formula C19H39NO6Si2 and a molecular weight of 433.69 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate
PubChem CID11004564
Molecular FormulaC19H39NO6Si2
Molecular Weight433.69 g/mol
Exact Mass433.23
IUPAC Name2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate
SMILESCC(C)(C)OC(=O)N(CC(=O)OCC[Si](C)(C)C)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C19H39NO6Si2/c1-19(2,3)26-18(23)20(14-16(21)24-10-12-27(4,5)6)15-17(22)25-11-13-28(7,8)9/h10-15H2,1-9H3
InChIKeyBEGJKHKUWJYNLE-UHFFFAOYSA-N
XLogP3.99
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 53.99
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'}

Analyze 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-tris(trimethylsilyl)silylpropanoate
CID 162417426
Ethyl 2-((tert-butoxycarbonyl)(ethyl)amino)acetate
CID 21263324
Ethyl 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 63788169
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]acetate
CID 87920809
2-Trimethylsilylethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate
CID 91801338
Ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 129047570
Bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamoyl propanoate
CID 145791474
Methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 167104288
Propyl 2-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 168069975
Ethyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 177910710

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate?
The IUPAC name of 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate (CID 11004564) is 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate.
What is the SMILES notation for 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate?
The canonical SMILES for 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate is CC(C)(C)OC(=O)N(CC(=O)OCC[Si](C)(C)C)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate?
The InChIKey is BEGJKHKUWJYNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO6Si2/c1-19(2,3)26-18(23)20(14-16(21)24-10-12-27(4,5)6)15-17(22)25-11-13-28(7,8)9/h10-15H2,1-9H3.
What are the key properties of 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate?
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate has a molecular weight of 433.69 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]amino]acetate is sourced from PubChem (CID 11004564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).