methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate

C14H19NO3Si — CID 141367540

IUPACmethyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate
SMILESCOC(=O)c1cc(C#C[Si](C)(C)C)c(N)cc1OC
InChIInChI=1S/C14H19NO3Si/c1-17-13-9-12(15)10(6-7-19(3,4)5)8-11(13)14(16)18-2/h8-9H,15H2,1-5H3
InChIKeyTZBSYKKYIGLFAQ-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.29
Rot. Bonds2

About methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate

methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate (PubChem CID 141367540) has the molecular formula C14H19NO3Si and a molecular weight of 277.40 g/mol. Its IUPAC name is methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate
PubChem CID141367540
Molecular FormulaC14H19NO3Si
Molecular Weight277.40 g/mol
Exact Mass277.11
IUPAC Namemethyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate
SMILESCOC(=O)c1cc(C#C[Si](C)(C)C)c(N)cc1OC
InChIInChI=1S/C14H19NO3Si/c1-17-13-9-12(15)10(6-7-19(3,4)5)8-11(13)14(16)18-2/h8-9H,15H2,1-5H3
InChIKeyTZBSYKKYIGLFAQ-UHFFFAOYSA-N
XLogP2.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.29
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-hydroxy-2-methyl-5-(2-trimethylsilylethynyl)benzoate
CID 154006056
methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate
CID 169495051
methyl 2-amino-5-ethynyl-4-(trifluoromethyl)benzoate;methyl 2-amino-4-(trifluoromethyl)-5-(2-trimethylsilylethynyl)benzoate
CID 159666881
ethyl 4-amino-2-chloro-5-(2-trimethylsilylethynyl)benzoate
CID 58688773
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
CID 178068399
methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate
CID 11197116
methyl 4-amino-3-cyano-5-(2-trimethylsilylethynyl)benzoate
CID 90355976
methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate
CID 19423395
dimethyl 2-[1-[4-[1-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]ethyl]-2,5-bis(2-trimethylsilylethynyl)phenyl]ethylidene]-1,3-dithiole-4,5-dicarboxylate
CID 139123759
methyl 2-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-4-(2-trimethylsilylethynyl)benzoate
CID 101224817
methyl 4-amino-2-chloro-5-(3-methoxyprop-1-ynyl)benzoate
CID 90219733

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate?
The IUPAC name of methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate (CID 141367540) is methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate.
What is the SMILES notation for methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate?
The canonical SMILES for methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate is COC(=O)c1cc(C#C[Si](C)(C)C)c(N)cc1OC.
What is the InChIKey of methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate?
The InChIKey is TZBSYKKYIGLFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3Si/c1-17-13-9-12(15)10(6-7-19(3,4)5)8-11(13)14(16)18-2/h8-9H,15H2,1-5H3.
What are the key properties of methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate?
methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate has a molecular weight of 277.40 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate is sourced from PubChem (CID 141367540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).