4-amino-3-[dimethyl(octyl)silyl]butanoic acid

C14H31NO2Si — CID 70673733

IUPAC4-amino-3-[dimethyl(octyl)silyl]butanoic acid
SMILESCCCCCCCC[Si](C)(C)C(CN)CC(=O)O
InChIInChI=1S/C14H31NO2Si/c1-4-5-6-7-8-9-10-18(2,3)13(12-15)11-14(16)17/h13H,4-12,15H2,1-3H3,(H,16,17)
InChIKeyMEWCIONQNSQXFR-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.86
Rot. Bonds11

About 4-amino-3-[dimethyl(octyl)silyl]butanoic acid

4-amino-3-[dimethyl(octyl)silyl]butanoic acid (PubChem CID 70673733) has the molecular formula C14H31NO2Si and a molecular weight of 273.49 g/mol. Its IUPAC name is 4-amino-3-[dimethyl(octyl)silyl]butanoic acid.

Molecular Properties

Compound Name4-amino-3-[dimethyl(octyl)silyl]butanoic acid
PubChem CID70673733
Molecular FormulaC14H31NO2Si
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name4-amino-3-[dimethyl(octyl)silyl]butanoic acid
SMILESCCCCCCCC[Si](C)(C)C(CN)CC(=O)O
InChIInChI=1S/C14H31NO2Si/c1-4-5-6-7-8-9-10-18(2,3)13(12-15)11-14(16)17/h13H,4-12,15H2,1-3H3,(H,16,17)
InChIKeyMEWCIONQNSQXFR-UHFFFAOYSA-N
XLogP3.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.86
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-amino-3-[dimethyl(octyl)silyl]butanoic acid?
The IUPAC name of 4-amino-3-[dimethyl(octyl)silyl]butanoic acid (CID 70673733) is 4-amino-3-[dimethyl(octyl)silyl]butanoic acid.
What is the SMILES notation for 4-amino-3-[dimethyl(octyl)silyl]butanoic acid?
The canonical SMILES for 4-amino-3-[dimethyl(octyl)silyl]butanoic acid is CCCCCCCC[Si](C)(C)C(CN)CC(=O)O.
What is the InChIKey of 4-amino-3-[dimethyl(octyl)silyl]butanoic acid?
The InChIKey is MEWCIONQNSQXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2Si/c1-4-5-6-7-8-9-10-18(2,3)13(12-15)11-14(16)17/h13H,4-12,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3-[dimethyl(octyl)silyl]butanoic acid?
4-amino-3-[dimethyl(octyl)silyl]butanoic acid has a molecular weight of 273.49 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[dimethyl(octyl)silyl]butanoic acid is sourced from PubChem (CID 70673733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).