4-(1-trimethylsilylethylamino)butanoic acid

C9H21NO2Si — CID 88962111

IUPAC4-(1-trimethylsilylethylamino)butanoic acid
SMILESCC(NCCCC(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H21NO2Si/c1-8(13(2,3)4)10-7-5-6-9(11)12/h8,10H,5-7H2,1-4H3,(H,11,12)
InChIKeyWXNMCAUSURDMMJ-UHFFFAOYSA-N
MW203.36 g/mol
LogP1.71
Rot. Bonds6

About 4-(1-trimethylsilylethylamino)butanoic acid

4-(1-trimethylsilylethylamino)butanoic acid (PubChem CID 88962111) has the molecular formula C9H21NO2Si and a molecular weight of 203.36 g/mol. Its IUPAC name is 4-(1-trimethylsilylethylamino)butanoic acid.

Molecular Properties

Compound Name4-(1-trimethylsilylethylamino)butanoic acid
PubChem CID88962111
Molecular FormulaC9H21NO2Si
Molecular Weight203.36 g/mol
Exact Mass203.13
IUPAC Name4-(1-trimethylsilylethylamino)butanoic acid
SMILESCC(NCCCC(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H21NO2Si/c1-8(13(2,3)4)10-7-5-6-9(11)12/h8,10H,5-7H2,1-4H3,(H,11,12)
InChIKeyWXNMCAUSURDMMJ-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-trimethylsilylethylamino)butanoic acid?
The IUPAC name of 4-(1-trimethylsilylethylamino)butanoic acid (CID 88962111) is 4-(1-trimethylsilylethylamino)butanoic acid.
What is the SMILES notation for 4-(1-trimethylsilylethylamino)butanoic acid?
The canonical SMILES for 4-(1-trimethylsilylethylamino)butanoic acid is CC(NCCCC(=O)O)[Si](C)(C)C.
What is the InChIKey of 4-(1-trimethylsilylethylamino)butanoic acid?
The InChIKey is WXNMCAUSURDMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2Si/c1-8(13(2,3)4)10-7-5-6-9(11)12/h8,10H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 4-(1-trimethylsilylethylamino)butanoic acid?
4-(1-trimethylsilylethylamino)butanoic acid has a molecular weight of 203.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-trimethylsilylethylamino)butanoic acid is sourced from PubChem (CID 88962111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).