2-trimethylsilylethyl 2-aminobenzoate

C12H19NO2Si — CID 154264553

IUPAC2-trimethylsilylethyl 2-aminobenzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccccc1N
InChIInChI=1S/C12H19NO2Si/c1-16(2,3)9-8-15-12(14)10-6-4-5-7-11(10)13/h4-7H,8-9,13H2,1-3H3
InChIKeyIFUOKRAZPSATRF-UHFFFAOYSA-N
MW237.38 g/mol
LogP2.76
Rot. Bonds4

About 2-trimethylsilylethyl 2-aminobenzoate

2-trimethylsilylethyl 2-aminobenzoate (PubChem CID 154264553) has the molecular formula C12H19NO2Si and a molecular weight of 237.38 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-aminobenzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-aminobenzoate
PubChem CID154264553
Molecular FormulaC12H19NO2Si
Molecular Weight237.38 g/mol
Exact Mass237.12
IUPAC Name2-trimethylsilylethyl 2-aminobenzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccccc1N
InChIInChI=1S/C12H19NO2Si/c1-16(2,3)9-8-15-12(14)10-6-4-5-7-11(10)13/h4-7H,8-9,13H2,1-3H3
InChIKeyIFUOKRAZPSATRF-UHFFFAOYSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.38
LogP ≤ 52.76
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'}

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Related Compounds

3-methoxypropyl 2-aminobenzoate
CID 61278385
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
CID 158104878
dodecyl 2-aminobenzoate
CID 5095316
1-(2-aminophenyl)-3-trimethylsilylpropan-1-one;hydrochloride
CID 86718836
pent-3-enyl 2-aminobenzoate
CID 85151102
3-hydroxypentyl 2-aminobenzoate
CID 141469821
methylsulfanylmethyl 2-aminobenzoate
CID 67665029
2-pyridin-2-ylethyl 2-aminobenzoate
CID 61323549
2-(3-methylbutoxy)ethyl 2-aminobenzoate
CID 54956515
[3-(methylamino)-3-oxopropyl] 3-amino-2-bromobenzoate
CID 113367175
2-trimethylsilylethyl 2-methyl-3-prop-2-enoxybenzoate
CID 90408053

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-aminobenzoate?
The IUPAC name of 2-trimethylsilylethyl 2-aminobenzoate (CID 154264553) is 2-trimethylsilylethyl 2-aminobenzoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-aminobenzoate?
The canonical SMILES for 2-trimethylsilylethyl 2-aminobenzoate is C[Si](C)(C)CCOC(=O)c1ccccc1N.
What is the InChIKey of 2-trimethylsilylethyl 2-aminobenzoate?
The InChIKey is IFUOKRAZPSATRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2Si/c1-16(2,3)9-8-15-12(14)10-6-4-5-7-11(10)13/h4-7H,8-9,13H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2-aminobenzoate?
2-trimethylsilylethyl 2-aminobenzoate has a molecular weight of 237.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-aminobenzoate is sourced from PubChem (CID 154264553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).