4-amino-3-trimethylsilylbutanoic acid

C7H17NO2Si — CID 70673729

IUPAC4-amino-3-trimethylsilylbutanoic acid
SMILESC[Si](C)(C)C(CN)CC(=O)O
InChIInChI=1S/C7H17NO2Si/c1-11(2,3)6(5-8)4-7(9)10/h6H,4-5,8H2,1-3H3,(H,9,10)
InChIKeyXUSVGOCLLDVFBI-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.13
Rot. Bonds4

About 4-amino-3-trimethylsilylbutanoic acid

4-amino-3-trimethylsilylbutanoic acid (PubChem CID 70673729) has the molecular formula C7H17NO2Si and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-amino-3-trimethylsilylbutanoic acid.

Molecular Properties

Compound Name4-amino-3-trimethylsilylbutanoic acid
PubChem CID70673729
Molecular FormulaC7H17NO2Si
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-amino-3-trimethylsilylbutanoic acid
SMILESC[Si](C)(C)C(CN)CC(=O)O
InChIInChI=1S/C7H17NO2Si/c1-11(2,3)6(5-8)4-7(9)10/h6H,4-5,8H2,1-3H3,(H,9,10)
InChIKeyXUSVGOCLLDVFBI-UHFFFAOYSA-N
XLogP1.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-amino-3-trimethylsilylbutanoic acid?
The IUPAC name of 4-amino-3-trimethylsilylbutanoic acid (CID 70673729) is 4-amino-3-trimethylsilylbutanoic acid.
What is the SMILES notation for 4-amino-3-trimethylsilylbutanoic acid?
The canonical SMILES for 4-amino-3-trimethylsilylbutanoic acid is C[Si](C)(C)C(CN)CC(=O)O.
What is the InChIKey of 4-amino-3-trimethylsilylbutanoic acid?
The InChIKey is XUSVGOCLLDVFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2Si/c1-11(2,3)6(5-8)4-7(9)10/h6H,4-5,8H2,1-3H3,(H,9,10).
What are the key properties of 4-amino-3-trimethylsilylbutanoic acid?
4-amino-3-trimethylsilylbutanoic acid has a molecular weight of 175.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-trimethylsilylbutanoic acid is sourced from PubChem (CID 70673729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).