3-[methyl(trimethylsilyl)amino]pent-4-enoic acid

C9H19NO2Si — CID 88850739

IUPAC3-[methyl(trimethylsilyl)amino]pent-4-enoic acid
SMILESC=CC(CC(=O)O)N(C)[Si](C)(C)C
InChIInChI=1S/C9H19NO2Si/c1-6-8(7-9(11)12)10(2)13(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyLOZRBSGYZDCEMH-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.78
Rot. Bonds5

About 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid

3-[methyl(trimethylsilyl)amino]pent-4-enoic acid (PubChem CID 88850739) has the molecular formula C9H19NO2Si and a molecular weight of 201.34 g/mol. Its IUPAC name is 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid.

Molecular Properties

Compound Name3-[methyl(trimethylsilyl)amino]pent-4-enoic acid
PubChem CID88850739
Molecular FormulaC9H19NO2Si
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC Name3-[methyl(trimethylsilyl)amino]pent-4-enoic acid
SMILESC=CC(CC(=O)O)N(C)[Si](C)(C)C
InChIInChI=1S/C9H19NO2Si/c1-6-8(7-9(11)12)10(2)13(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyLOZRBSGYZDCEMH-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid?
The IUPAC name of 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid (CID 88850739) is 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid.
What is the SMILES notation for 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid?
The canonical SMILES for 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid is C=CC(CC(=O)O)N(C)[Si](C)(C)C.
What is the InChIKey of 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid?
The InChIKey is LOZRBSGYZDCEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2Si/c1-6-8(7-9(11)12)10(2)13(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12).
What are the key properties of 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid?
3-[methyl(trimethylsilyl)amino]pent-4-enoic acid has a molecular weight of 201.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(trimethylsilyl)amino]pent-4-enoic acid is sourced from PubChem (CID 88850739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).