3-(aminomethyl)-4-trimethylsilylbutanoic acid

C8H19NO2Si — CID 70673734

IUPAC3-(aminomethyl)-4-trimethylsilylbutanoic acid
SMILESC[Si](C)(C)CC(CN)CC(=O)O
InChIInChI=1S/C8H19NO2Si/c1-12(2,3)6-7(5-9)4-8(10)11/h7H,4-6,9H2,1-3H3,(H,10,11)
InChIKeyWVXKDLMEWYLCPU-UHFFFAOYSA-N
MW189.33 g/mol
LogP1.37
Rot. Bonds5

About 3-(aminomethyl)-4-trimethylsilylbutanoic acid

3-(aminomethyl)-4-trimethylsilylbutanoic acid (PubChem CID 70673734) has the molecular formula C8H19NO2Si and a molecular weight of 189.33 g/mol. Its IUPAC name is 3-(aminomethyl)-4-trimethylsilylbutanoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4-trimethylsilylbutanoic acid
PubChem CID70673734
Molecular FormulaC8H19NO2Si
Molecular Weight189.33 g/mol
Exact Mass189.12
IUPAC Name3-(aminomethyl)-4-trimethylsilylbutanoic acid
SMILESC[Si](C)(C)CC(CN)CC(=O)O
InChIInChI=1S/C8H19NO2Si/c1-12(2,3)6-7(5-9)4-8(10)11/h7H,4-6,9H2,1-3H3,(H,10,11)
InChIKeyWVXKDLMEWYLCPU-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(aminomethyl)-4-trimethylsilylbutanoic acid
CID 71463081
(3S)-3-(aminomethyl)-4-trimethylsilylbutanoic acid
CID 71463082
4-Amino-3-(trimethylsilyl)butanoic acid
CID 70673729
4-Amino-3-[tert-butyl(dimethyl)silyl]butanoic acid
CID 70673731
4-Amino-3-(dimethyl-n-octylsilyl)butanoic acid
CID 70673733
4-Amino-3-(1-methylsilinan-1-yl)butanoic acid
CID 70673851
4-Amino-3-[(1-methyl-1-silacyclopentan-1-yl)methyl]butanoic acid
CID 70673852
3-(Aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid
CID 70673853
4-Amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
CID 87122185
4-Aminobutanoic acid;2-methylpropanoic acid
CID 88239285
4-Amino-2-trimethylsilylbutanoic acid
CID 90943054
3-(Aminomethyl)-4-[cyclopropyl(dimethyl)silyl]butanoic acid
CID 140684234

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-trimethylsilylbutanoic acid?
The IUPAC name of 3-(aminomethyl)-4-trimethylsilylbutanoic acid (CID 70673734) is 3-(aminomethyl)-4-trimethylsilylbutanoic acid.
What is the SMILES notation for 3-(aminomethyl)-4-trimethylsilylbutanoic acid?
The canonical SMILES for 3-(aminomethyl)-4-trimethylsilylbutanoic acid is C[Si](C)(C)CC(CN)CC(=O)O.
What is the InChIKey of 3-(aminomethyl)-4-trimethylsilylbutanoic acid?
The InChIKey is WVXKDLMEWYLCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2Si/c1-12(2,3)6-7(5-9)4-8(10)11/h7H,4-6,9H2,1-3H3,(H,10,11).
What are the key properties of 3-(aminomethyl)-4-trimethylsilylbutanoic acid?
3-(aminomethyl)-4-trimethylsilylbutanoic acid has a molecular weight of 189.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-trimethylsilylbutanoic acid is sourced from PubChem (CID 70673734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).