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

C10H21NO2Si — CID 70673851

IUPAC4-amino-3-(1-methylsilinan-1-yl)butanoic acid
SMILESC[Si]1(C(CN)CC(=O)O)CCCCC1
InChIInChI=1S/C10H21NO2Si/c1-14(5-3-2-4-6-14)9(8-11)7-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyGENXFZFAIXAVEU-UHFFFAOYSA-N
MW215.37 g/mol
LogP2.05
Rot. Bonds4

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

4-amino-3-(1-methylsilinan-1-yl)butanoic acid (PubChem CID 70673851) has the molecular formula C10H21NO2Si and a molecular weight of 215.37 g/mol. Its IUPAC name is 4-amino-3-(1-methylsilinan-1-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(1-methylsilinan-1-yl)butanoic acid
PubChem CID70673851
Molecular FormulaC10H21NO2Si
Molecular Weight215.37 g/mol
Exact Mass215.13
IUPAC Name4-amino-3-(1-methylsilinan-1-yl)butanoic acid
SMILESC[Si]1(C(CN)CC(=O)O)CCCCC1
InChIInChI=1S/C10H21NO2Si/c1-14(5-3-2-4-6-14)9(8-11)7-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyGENXFZFAIXAVEU-UHFFFAOYSA-N
XLogP2.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 52.05
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-(1-methylsilinan-1-yl)butanoic acid?
The IUPAC name of 4-amino-3-(1-methylsilinan-1-yl)butanoic acid (CID 70673851) is 4-amino-3-(1-methylsilinan-1-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(1-methylsilinan-1-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(1-methylsilinan-1-yl)butanoic acid is C[Si]1(C(CN)CC(=O)O)CCCCC1.
What is the InChIKey of 4-amino-3-(1-methylsilinan-1-yl)butanoic acid?
The InChIKey is GENXFZFAIXAVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2Si/c1-14(5-3-2-4-6-14)9(8-11)7-10(12)13/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-3-(1-methylsilinan-1-yl)butanoic acid?
4-amino-3-(1-methylsilinan-1-yl)butanoic acid has a molecular weight of 215.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-methylsilinan-1-yl)butanoic acid is sourced from PubChem (CID 70673851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).