2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid

C12H19NO4Si — CID 11536332

IUPAC2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid
SMILESCOC(=O)N1C=CC(C(C(=O)O)[Si](C)(C)C)C=C1
InChIInChI=1S/C12H19NO4Si/c1-17-12(16)13-7-5-9(6-8-13)10(11(14)15)18(2,3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyFDGFAPADBQBQQY-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.51
Rot. Bonds3

About 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid

2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid (PubChem CID 11536332) has the molecular formula C12H19NO4Si and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid.

Molecular Properties

Compound Name2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid
PubChem CID11536332
Molecular FormulaC12H19NO4Si
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid
SMILESCOC(=O)N1C=CC(C(C(=O)O)[Si](C)(C)C)C=C1
InChIInChI=1S/C12H19NO4Si/c1-17-12(16)13-7-5-9(6-8-13)10(11(14)15)18(2,3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyFDGFAPADBQBQQY-UHFFFAOYSA-N
XLogP2.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 15525620
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-3-methylbutanoic acid
CID 11536029
2-(1-methoxycarbonyl-4H-pyridin-4-yl)acetic acid
CID 11593610
2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid
CID 11644169

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid?
The IUPAC name of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid (CID 11536332) is 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid.
What is the SMILES notation for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid?
The canonical SMILES for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid is COC(=O)N1C=CC(C(C(=O)O)[Si](C)(C)C)C=C1.
What is the InChIKey of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid?
The InChIKey is FDGFAPADBQBQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4Si/c1-17-12(16)13-7-5-9(6-8-13)10(11(14)15)18(2,3)4/h5-10H,1-4H3,(H,14,15).
What are the key properties of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid?
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid has a molecular weight of 269.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid is sourced from PubChem (CID 11536332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).