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

C10H21NO2Si — CID 70673852

IUPAC3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid
SMILESC[Si]1(CC(CN)CC(=O)O)CCCC1
InChIInChI=1S/C10H21NO2Si/c1-14(4-2-3-5-14)8-9(7-11)6-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyFBZGGKHJNAORPF-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.91
Rot. Bonds5

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

3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid (PubChem CID 70673852) has the molecular formula C10H21NO2Si and a molecular weight of 215.37 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid
PubChem CID70673852
Molecular FormulaC10H21NO2Si
Molecular Weight215.37 g/mol
Exact Mass215.13
IUPAC Name3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid
SMILESC[Si]1(CC(CN)CC(=O)O)CCCC1
InChIInChI=1S/C10H21NO2Si/c1-14(4-2-3-5-14)8-9(7-11)6-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyFBZGGKHJNAORPF-UHFFFAOYSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.91
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-methylsilolan-1-yl)butanoic acid?
The IUPAC name of 3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid (CID 70673852) is 3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid.
What is the SMILES notation for 3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid?
The canonical SMILES for 3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid is C[Si]1(CC(CN)CC(=O)O)CCCC1.
What is the InChIKey of 3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid?
The InChIKey is FBZGGKHJNAORPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2Si/c1-14(4-2-3-5-14)8-9(7-11)6-10(12)13/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid?
3-(aminomethyl)-4-(1-methylsilolan-1-yl)butanoic acid has a molecular weight of 215.37 g/mol, XLogP of 1.91, 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-methylsilolan-1-yl)butanoic acid is sourced from PubChem (CID 70673852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).