methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate

C15H25NO3Si — CID 167729628

IUPACmethyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate
SMILESCOC(=O)c1ccc(N)c(O[Si](C)(C)C(C)(C)C)c1C
InChIInChI=1S/C15H25NO3Si/c1-10-11(14(17)18-5)8-9-12(16)13(10)19-20(6,7)15(2,3)4/h8-9H,16H2,1-7H3
InChIKeyMLUIPYIRXUPOMN-UHFFFAOYSA-N
MW295.46 g/mol
LogP3.75
Rot. Bonds3

About methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate

methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate (PubChem CID 167729628) has the molecular formula C15H25NO3Si and a molecular weight of 295.46 g/mol. Its IUPAC name is methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate
PubChem CID167729628
Molecular FormulaC15H25NO3Si
Molecular Weight295.46 g/mol
Exact Mass295.16
IUPAC Namemethyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate
SMILESCOC(=O)c1ccc(N)c(O[Si](C)(C)C(C)(C)C)c1C
InChIInChI=1S/C15H25NO3Si/c1-10-11(14(17)18-5)8-9-12(16)13(10)19-20(6,7)15(2,3)4/h8-9H,16H2,1-7H3
InChIKeyMLUIPYIRXUPOMN-UHFFFAOYSA-N
XLogP3.75
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 53.75
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

methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate
CID 167715726
methyl 4-amino-3-hydroxy-2-methylbenzoate;hydrochloride
CID 155973615
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate
CID 18992073
methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate
CID 177149312
methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
methyl 5-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-iodobenzoate
CID 167727351
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897
methyl 3,5-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzoate
CID 177175663
dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate
CID 10618775
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
methyl 3-amino-4-hydroxy-2-methylbenzoate
CID 84768345

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate?
The IUPAC name of methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate (CID 167729628) is methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate.
What is the SMILES notation for methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate?
The canonical SMILES for methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate is COC(=O)c1ccc(N)c(O[Si](C)(C)C(C)(C)C)c1C.
What is the InChIKey of methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate?
The InChIKey is MLUIPYIRXUPOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3Si/c1-10-11(14(17)18-5)8-9-12(16)13(10)19-20(6,7)15(2,3)4/h8-9H,16H2,1-7H3.
What are the key properties of methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate?
methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate has a molecular weight of 295.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate is sourced from PubChem (CID 167729628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).