2-trimethylsilylethyl 4-amino-3-methoxybenzoate

C13H21NO3Si — CID 10778254

IUPAC2-trimethylsilylethyl 4-amino-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC[Si](C)(C)C)ccc1N
InChIInChI=1S/C13H21NO3Si/c1-16-12-9-10(5-6-11(12)14)13(15)17-7-8-18(2,3)4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyRRAYZUZPSFFQCO-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.77
Rot. Bonds5

About 2-trimethylsilylethyl 4-amino-3-methoxybenzoate

2-trimethylsilylethyl 4-amino-3-methoxybenzoate (PubChem CID 10778254) has the molecular formula C13H21NO3Si and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-amino-3-methoxybenzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-amino-3-methoxybenzoate
PubChem CID10778254
Molecular FormulaC13H21NO3Si
Molecular Weight267.40 g/mol
Exact Mass267.13
IUPAC Name2-trimethylsilylethyl 4-amino-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC[Si](C)(C)C)ccc1N
InChIInChI=1S/C13H21NO3Si/c1-16-12-9-10(5-6-11(12)14)13(15)17-7-8-18(2,3)4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyRRAYZUZPSFFQCO-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl 4-amino-3-methoxybenzoate
CID 154161759
methyl 4-amino-3-methoxybenzoate
CID 602411
2-butoxyethyl 4-amino-3-methoxybenzoate
CID 104783923
2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 10690077
2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
(2-hydroxy-3-methylbutyl) 4-amino-3-methoxybenzoate
CID 114249961
2,2-dimethylpropanoyl 4-amino-3-methoxybenzenecarboperoxoate
CID 175587267
2-trimethylsilylethyl 4-iodobenzoate
CID 11290981
oxan-4-ylmethyl 4-amino-3-methoxybenzoate
CID 104783939
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
CID 178078646
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-amino-3-methoxybenzoate?
The IUPAC name of 2-trimethylsilylethyl 4-amino-3-methoxybenzoate (CID 10778254) is 2-trimethylsilylethyl 4-amino-3-methoxybenzoate.
What is the SMILES notation for 2-trimethylsilylethyl 4-amino-3-methoxybenzoate?
The canonical SMILES for 2-trimethylsilylethyl 4-amino-3-methoxybenzoate is COc1cc(C(=O)OCC[Si](C)(C)C)ccc1N.
What is the InChIKey of 2-trimethylsilylethyl 4-amino-3-methoxybenzoate?
The InChIKey is RRAYZUZPSFFQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3Si/c1-16-12-9-10(5-6-11(12)14)13(15)17-7-8-18(2,3)4/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl 4-amino-3-methoxybenzoate?
2-trimethylsilylethyl 4-amino-3-methoxybenzoate has a molecular weight of 267.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-amino-3-methoxybenzoate is sourced from PubChem (CID 10778254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).