trimethylsilylmethyl 4-aminobenzoate

C11H17NO2Si — CID 13238788

IUPACtrimethylsilylmethyl 4-aminobenzoate
SMILESC[Si](C)(C)COC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H17NO2Si/c1-15(2,3)8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3
InChIKeyXGLSDWALDLXEEV-UHFFFAOYSA-N
MW223.35 g/mol
LogP2.30
Rot. Bonds3

About trimethylsilylmethyl 4-aminobenzoate

trimethylsilylmethyl 4-aminobenzoate (PubChem CID 13238788) has the molecular formula C11H17NO2Si and a molecular weight of 223.35 g/mol. Its IUPAC name is trimethylsilylmethyl 4-aminobenzoate.

Molecular Properties

Compound Nametrimethylsilylmethyl 4-aminobenzoate
PubChem CID13238788
Molecular FormulaC11H17NO2Si
Molecular Weight223.35 g/mol
Exact Mass223.10
IUPAC Nametrimethylsilylmethyl 4-aminobenzoate
SMILESC[Si](C)(C)COC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H17NO2Si/c1-15(2,3)8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3
InChIKeyXGLSDWALDLXEEV-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethylsilylmethyl 4-aminobenzoate with MolForge

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

Launch Full Analysis

Related Compounds

[[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate
CID 3092383
trimethoxysilylmethyl 4-aminobenzoate
CID 13238790
ethyl 4-aminobenzoate
CID 2337
butane;ethyl 4-aminobenzoate
CID 67389405
methoxymethyl 4-aminobenzoate
CID 65364414
2-[2-(4-aminobenzoyl)oxyethylsulfanyl]ethyl 4-aminobenzoate
CID 131860391
2-methylpropyl 4-aminobenzoate
CID 23616374
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
3-trimethoxysilylpropyl 4-aminobenzoate
CID 142678171
azane;butyl 4-aminobenzoate
CID 175088613
tetradecyl 4-aminobenzoate
CID 66970570

Frequently Asked Questions

What is the IUPAC name of trimethylsilylmethyl 4-aminobenzoate?
The IUPAC name of trimethylsilylmethyl 4-aminobenzoate (CID 13238788) is trimethylsilylmethyl 4-aminobenzoate.
What is the SMILES notation for trimethylsilylmethyl 4-aminobenzoate?
The canonical SMILES for trimethylsilylmethyl 4-aminobenzoate is C[Si](C)(C)COC(=O)c1ccc(N)cc1.
What is the InChIKey of trimethylsilylmethyl 4-aminobenzoate?
The InChIKey is XGLSDWALDLXEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2Si/c1-15(2,3)8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3.
What are the key properties of trimethylsilylmethyl 4-aminobenzoate?
trimethylsilylmethyl 4-aminobenzoate has a molecular weight of 223.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl 4-aminobenzoate is sourced from PubChem (CID 13238788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).