2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid

C13H25NO3Si — CID 68968731

IUPAC2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
SMILESCC(C)(CN1CC=C(O[Si](C)(C)C)CC1)C(=O)O
InChIInChI=1S/C13H25NO3Si/c1-13(2,12(15)16)10-14-8-6-11(7-9-14)17-18(3,4)5/h6H,7-10H2,1-5H3,(H,15,16)
InChIKeyXPYLBTCILJJRRD-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.54
Rot. Bonds5

About 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid

2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid (PubChem CID 68968731) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
PubChem CID68968731
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid
SMILESCC(C)(CN1CC=C(O[Si](C)(C)C)CC1)C(=O)O
InChIInChI=1S/C13H25NO3Si/c1-13(2,12(15)16)10-14-8-6-11(7-9-14)17-18(3,4)5/h6H,7-10H2,1-5H3,(H,15,16)
InChIKeyXPYLBTCILJJRRD-UHFFFAOYSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid (CID 68968731) is 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid is CC(C)(CN1CC=C(O[Si](C)(C)C)CC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
The InChIKey is XPYLBTCILJJRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-13(2,12(15)16)10-14-8-6-11(7-9-14)17-18(3,4)5/h6H,7-10H2,1-5H3,(H,15,16).
What are the key properties of 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid?
2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid has a molecular weight of 271.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-trimethylsilyloxy-3,6-dihydro-2H-pyridin-1-yl)propanoic acid is sourced from PubChem (CID 68968731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).