(2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate

C20H36N2O6Si — CID 24826459

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate
SMILESCCO[Si](CCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C20H36N2O6Si/c1-6-27-29(15(2)3,16(4)5)14-8-13-21-17(23)9-7-10-20(26)28-22-18(24)11-12-19(22)25/h15-16H,6-14H2,1-5H3,(H,21,23)
InChIKeyWVSHBZSGPPBTLG-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.07
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate (PubChem CID 24826459) has the molecular formula C20H36N2O6Si and a molecular weight of 428.60 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate
PubChem CID24826459
Molecular FormulaC20H36N2O6Si
Molecular Weight428.60 g/mol
Exact Mass428.23
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate
SMILESCCO[Si](CCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O)(C(C)C)C(C)C
InChIInChI=1S/C20H36N2O6Si/c1-6-27-29(15(2)3,16(4)5)14-8-13-21-17(23)9-7-10-20(26)28-22-18(24)11-12-19(22)25/h15-16H,6-14H2,1-5H3,(H,21,23)
InChIKeyWVSHBZSGPPBTLG-UHFFFAOYSA-N
XLogP3.07
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate
CID 102112426
(2,5-dioxopyrrolidin-1-yl) 6-[3-[dimethyl(silyloxy)silyl]propylamino]-6-oxohexanoate
CID 163761392
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane
CID 158726437
(2,5-dioxopyrrolidin-1-yl) 8-[3-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoate
CID 118440608
(2,5-dioxopyrrolidin-1-yl) 6-[[4-acetamido-5-(2-hydroxyethylamino)-5-oxopentanoyl]amino]hexanoate
CID 89119031
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxopropan-2-yl]amino]-6-oxohexanoate
CID 129055813
(2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
CID 170024756
(2,5-dioxopyrrolidin-1-yl) 6-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexanoate
CID 87561673
(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate
CID 118440512
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate (CID 24826459) is (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate is CCO[Si](CCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O)(C(C)C)C(C)C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate?
The InChIKey is WVSHBZSGPPBTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O6Si/c1-6-27-29(15(2)3,16(4)5)14-8-13-21-17(23)9-7-10-20(26)28-22-18(24)11-12-19(22)25/h15-16H,6-14H2,1-5H3,(H,21,23).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate has a molecular weight of 428.60 g/mol, XLogP of 3.07, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate is sourced from PubChem (CID 24826459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).