4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid

C9H17NO3Si — CID 90015690

IUPAC4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESC[Si](C)(C)OC1=CCNC(C(=O)O)C1
InChIInChI=1S/C9H17NO3Si/c1-14(2,3)13-7-4-5-10-8(6-7)9(11)12/h4,8,10H,5-6H2,1-3H3,(H,11,12)
InChIKeyXFBKSHCLRRTTSV-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.17
Rot. Bonds3

About 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid

4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid (PubChem CID 90015690) has the molecular formula C9H17NO3Si and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
PubChem CID90015690
Molecular FormulaC9H17NO3Si
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESC[Si](C)(C)OC1=CCNC(C(=O)O)C1
InChIInChI=1S/C9H17NO3Si/c1-14(2,3)13-7-4-5-10-8(6-7)9(11)12/h4,8,10H,5-6H2,1-3H3,(H,11,12)
InChIKeyXFBKSHCLRRTTSV-UHFFFAOYSA-N
XLogP1.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic 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 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The IUPAC name of 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid (CID 90015690) is 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid.
What is the SMILES notation for 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The canonical SMILES for 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid is C[Si](C)(C)OC1=CCNC(C(=O)O)C1.
What is the InChIKey of 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The InChIKey is XFBKSHCLRRTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3Si/c1-14(2,3)13-7-4-5-10-8(6-7)9(11)12/h4,8,10H,5-6H2,1-3H3,(H,11,12).
What are the key properties of 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid has a molecular weight of 215.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid is sourced from PubChem (CID 90015690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).