2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate

C13H26N4O2Si — CID 57253297

IUPAC2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate
SMILESC[Si](C)(C)CCOC(=O)C(N)Cc1cncn1CCN
InChIInChI=1S/C13H26N4O2Si/c1-20(2,3)7-6-19-13(18)12(15)8-11-9-16-10-17(11)5-4-14/h9-10,12H,4-8,14-15H2,1-3H3
InChIKeyFFXWDVIAJVLUGR-UHFFFAOYSA-N
MW298.46 g/mol
LogP0.59
Rot. Bonds8

About 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate

2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate (PubChem CID 57253297) has the molecular formula C13H26N4O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate
PubChem CID57253297
Molecular FormulaC13H26N4O2Si
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate
SMILESC[Si](C)(C)CCOC(=O)C(N)Cc1cncn1CCN
InChIInChI=1S/C13H26N4O2Si/c1-20(2,3)7-6-19-13(18)12(15)8-11-9-16-10-17(11)5-4-14/h9-10,12H,4-8,14-15H2,1-3H3
InChIKeyFFXWDVIAJVLUGR-UHFFFAOYSA-N
XLogP0.59
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate?
The IUPAC name of 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate (CID 57253297) is 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate is C[Si](C)(C)CCOC(=O)C(N)Cc1cncn1CCN.
What is the InChIKey of 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate?
The InChIKey is FFXWDVIAJVLUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2Si/c1-20(2,3)7-6-19-13(18)12(15)8-11-9-16-10-17(11)5-4-14/h9-10,12H,4-8,14-15H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate?
2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate has a molecular weight of 298.46 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate is sourced from PubChem (CID 57253297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).