4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid

C22H46N2O8Si4 — CID 59172339

IUPAC4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCN(CCN1C(=O)CCC1=O)C(=O)CCC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C22H46N2O8Si4/c1-33(2,3)30-35(7,8)32-36(9,31-34(4,5)6)18-10-15-23(19(25)13-14-22(28)29)16-17-24-20(26)11-12-21(24)27/h10-18H2,1-9H3,(H,28,29)
InChIKeyRVAVVPLJLIHWBC-UHFFFAOYSA-N
MW578.96 g/mol
LogP3.71
Rot. Bonds16

About 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid

4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid (PubChem CID 59172339) has the molecular formula C22H46N2O8Si4 and a molecular weight of 578.96 g/mol. Its IUPAC name is 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid
PubChem CID59172339
Molecular FormulaC22H46N2O8Si4
Molecular Weight578.96 g/mol
Exact Mass578.23
IUPAC Name4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCN(CCN1C(=O)CCC1=O)C(=O)CCC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C22H46N2O8Si4/c1-33(2,3)30-35(7,8)32-36(9,31-34(4,5)6)18-10-15-23(19(25)13-14-22(28)29)16-17-24-20(26)11-12-21(24)27/h10-18H2,1-9H3,(H,28,29)
InChIKeyRVAVVPLJLIHWBC-UHFFFAOYSA-N
XLogP3.71
TPSA122.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.96
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

CID 20594750
CID 20594750
CID 53742252
CID 53742252
CID 58381784
CID 58381784
CID 59172329
CID 59172329
CID 59172332
CID 59172332
CID 59172338
CID 59172338
CID 87318064
CID 87318064
CID 124020501
CID 124020501
CID 157517232
CID 157517232
CID 53247326
CID 53247326

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid (CID 59172339) is 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCN(CCN1C(=O)CCC1=O)C(=O)CCC(=O)O)O[Si](C)(C)C.
What is the InChIKey of 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid?
The InChIKey is RVAVVPLJLIHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O8Si4/c1-33(2,3)30-35(7,8)32-36(9,31-34(4,5)6)18-10-15-23(19(25)13-14-22(28)29)16-17-24-20(26)11-12-21(24)27/h10-18H2,1-9H3,(H,28,29).
What are the key properties of 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid?
4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid has a molecular weight of 578.96 g/mol, XLogP of 3.71, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 59172339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).