4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid

C20H44N2O11Si4 — CID 20594750

IUPAC4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid
SMILESC[Si](C)(O)O[Si](C)(C)O[Si](C)(CCCN(CCNC(=O)CCC(=O)O)C(=O)CCC(=O)O)O[Si](C)(C)O
InChIInChI=1S/C20H44N2O11Si4/c1-34(2,29)31-36(5,6)33-37(7,32-35(3,4)30)16-8-14-22(18(24)10-12-20(27)28)15-13-21-17(23)9-11-19(25)26/h29-30H,8-16H2,1-7H3,(H,21,23)(H,25,26)(H,27,28)
InChIKeyCAQJVHRUBGPFGM-UHFFFAOYSA-N
MW600.92 g/mol
LogP1.26
Rot. Bonds19

About 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid

4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid (PubChem CID 20594750) has the molecular formula C20H44N2O11Si4 and a molecular weight of 600.92 g/mol. Its IUPAC name is 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid
PubChem CID20594750
Molecular FormulaC20H44N2O11Si4
Molecular Weight600.92 g/mol
Exact Mass600.20
IUPAC Name4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid
SMILESC[Si](C)(O)O[Si](C)(C)O[Si](C)(CCCN(CCNC(=O)CCC(=O)O)C(=O)CCC(=O)O)O[Si](C)(C)O
InChIInChI=1S/C20H44N2O11Si4/c1-34(2,29)31-36(5,6)33-37(7,32-35(3,4)30)16-8-14-22(18(24)10-12-20(27)28)15-13-21-17(23)9-11-19(25)26/h29-30H,8-16H2,1-7H3,(H,21,23)(H,25,26)(H,27,28)
InChIKeyCAQJVHRUBGPFGM-UHFFFAOYSA-N
XLogP1.26
TPSA192.16 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.92
LogP ≤ 51.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid (CID 20594750) is 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid is C[Si](C)(O)O[Si](C)(C)O[Si](C)(CCCN(CCNC(=O)CCC(=O)O)C(=O)CCC(=O)O)O[Si](C)(C)O.
What is the InChIKey of 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid?
The InChIKey is CAQJVHRUBGPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O11Si4/c1-34(2,29)31-36(5,6)33-37(7,32-35(3,4)30)16-8-14-22(18(24)10-12-20(27)28)15-13-21-17(23)9-11-19(25)26/h29-30H,8-16H2,1-7H3,(H,21,23)(H,25,26)(H,27,28).
What are the key properties of 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid?
4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid has a molecular weight of 600.92 g/mol, XLogP of 1.26, 19 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-carboxypropanoyl-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]amino]ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 20594750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).