methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate

C14H23NO2Si — CID 103437611

IUPACmethyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C14H23NO2Si/c1-17-14(16)9-10-15-11-12-5-7-13(8-6-12)18(2,3)4/h5-8,15H,9-11H2,1-4H3
InChIKeyGADNZOUCPMUGQZ-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.88
Rot. Bonds6

About methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate

methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate (PubChem CID 103437611) has the molecular formula C14H23NO2Si and a molecular weight of 265.43 g/mol. Its IUPAC name is methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate
PubChem CID103437611
Molecular FormulaC14H23NO2Si
Molecular Weight265.43 g/mol
Exact Mass265.15
IUPAC Namemethyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C14H23NO2Si/c1-17-14(16)9-10-15-11-12-5-7-13(8-6-12)18(2,3)4/h5-8,15H,9-11H2,1-4H3
InChIKeyGADNZOUCPMUGQZ-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438048
N-propyl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103437737
methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate
CID 10595430
methyl 3-(pyrimidin-5-ylmethylamino)propanoate
CID 62758953
methyl 3-[(3,4-difluorophenyl)methylamino]propanoate
CID 43088323
N'-[(4-trimethylsilylphenyl)methyl]ethane-1,2-diamine
CID 103437754
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
2-[(4-trimethylsilylphenyl)methylamino]acetamide
CID 103437528
2-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438060
methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484
methyl 3-[(3-fluorophenyl)methylamino]propanoate
CID 43088302
methyl 4-[(4-propan-2-ylphenyl)methylamino]butanoate
CID 54917794

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate?
The IUPAC name of methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate (CID 103437611) is methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate is COC(=O)CCNCc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate?
The InChIKey is GADNZOUCPMUGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2Si/c1-17-14(16)9-10-15-11-12-5-7-13(8-6-12)18(2,3)4/h5-8,15H,9-11H2,1-4H3.
What are the key properties of methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate?
methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate has a molecular weight of 265.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate is sourced from PubChem (CID 103437611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).