3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid

C11H23NO2Si — CID 70673853

IUPAC3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid
SMILESC[Si]1(CC(CN)CC(=O)O)CCCCC1
InChIInChI=1S/C11H23NO2Si/c1-15(5-3-2-4-6-15)9-10(8-12)7-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyKJATYLURJFGRCT-UHFFFAOYSA-N
MW229.40 g/mol
LogP2.30
Rot. Bonds5

About 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid

3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid (PubChem CID 70673853) has the molecular formula C11H23NO2Si and a molecular weight of 229.40 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid
PubChem CID70673853
Molecular FormulaC11H23NO2Si
Molecular Weight229.40 g/mol
Exact Mass229.15
IUPAC Name3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid
SMILESC[Si]1(CC(CN)CC(=O)O)CCCCC1
InChIInChI=1S/C11H23NO2Si/c1-15(5-3-2-4-6-15)9-10(8-12)7-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyKJATYLURJFGRCT-UHFFFAOYSA-N
XLogP2.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 52.30
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 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid?
The IUPAC name of 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid (CID 70673853) is 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid.
What is the SMILES notation for 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid?
The canonical SMILES for 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid is C[Si]1(CC(CN)CC(=O)O)CCCCC1.
What is the InChIKey of 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid?
The InChIKey is KJATYLURJFGRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2Si/c1-15(5-3-2-4-6-15)9-10(8-12)7-11(13)14/h10H,2-9,12H2,1H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid?
3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid has a molecular weight of 229.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(1-methylsilinan-1-yl)butanoic acid is sourced from PubChem (CID 70673853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).