2-trimethylsilylethyl 4-aminobutanoate

C9H21NO2Si — CID 86000353

IUPAC2-trimethylsilylethyl 4-aminobutanoate
SMILESC[Si](C)(C)CCOC(=O)CCCN
InChIInChI=1S/C9H21NO2Si/c1-13(2,3)8-7-12-9(11)5-4-6-10/h4-8,10H2,1-3H3
InChIKeyJESSCDZGXCLXPM-UHFFFAOYSA-N
MW203.36 g/mol
LogP1.61
Rot. Bonds6

About 2-trimethylsilylethyl 4-aminobutanoate

2-trimethylsilylethyl 4-aminobutanoate (PubChem CID 86000353) has the molecular formula C9H21NO2Si and a molecular weight of 203.36 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-aminobutanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-aminobutanoate
PubChem CID86000353
Molecular FormulaC9H21NO2Si
Molecular Weight203.36 g/mol
Exact Mass203.13
IUPAC Name2-trimethylsilylethyl 4-aminobutanoate
SMILESC[Si](C)(C)CCOC(=O)CCCN
InChIInChI=1S/C9H21NO2Si/c1-13(2,3)8-7-12-9(11)5-4-6-10/h4-8,10H2,1-3H3
InChIKeyJESSCDZGXCLXPM-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-aminobutanoate?
The IUPAC name of 2-trimethylsilylethyl 4-aminobutanoate (CID 86000353) is 2-trimethylsilylethyl 4-aminobutanoate.
What is the SMILES notation for 2-trimethylsilylethyl 4-aminobutanoate?
The canonical SMILES for 2-trimethylsilylethyl 4-aminobutanoate is C[Si](C)(C)CCOC(=O)CCCN.
What is the InChIKey of 2-trimethylsilylethyl 4-aminobutanoate?
The InChIKey is JESSCDZGXCLXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2Si/c1-13(2,3)8-7-12-9(11)5-4-6-10/h4-8,10H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-aminobutanoate?
2-trimethylsilylethyl 4-aminobutanoate has a molecular weight of 203.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-aminobutanoate is sourced from PubChem (CID 86000353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).