6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid

C17H33NO4Si — CID 141382088

IUPAC6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)C1=CC(O)CN(C(=O)O)C1CO[Si](C)(C)CC(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-12(2)14-8-13(19)9-18(16(20)21)15(14)10-22-23(6,7)11-17(3,4)5/h8,12-13,15,19H,9-11H2,1-7H3,(H,20,21)
InChIKeyZWRXFLHWWGEMPF-UHFFFAOYSA-N
MW343.54 g/mol
LogP3.56
Rot. Bonds5

About 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid

6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 141382088) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID141382088
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Name6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)C1=CC(O)CN(C(=O)O)C1CO[Si](C)(C)CC(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-12(2)14-8-13(19)9-18(16(20)21)15(14)10-22-23(6,7)11-17(3,4)5/h8,12-13,15,19H,9-11H2,1-7H3,(H,20,21)
InChIKeyZWRXFLHWWGEMPF-UHFFFAOYSA-N
XLogP3.56
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 141382087
6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 141382082
tert-butyl (6S)-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141469066
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 161325711
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 69348864
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 162091438
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 141362787
6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 67617252
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-chloroacetyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87828403
3-hydroxy-1-(2-sulfanylpropanoyl)-2,3-dihydropyrrole-5-carboxylic acid
CID 23343198
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 123400116
2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid
CID 67128058

Frequently Asked Questions

What is the IUPAC name of 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 141382088) is 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC(C)C1=CC(O)CN(C(=O)O)C1CO[Si](C)(C)CC(C)(C)C.
What is the InChIKey of 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is ZWRXFLHWWGEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-12(2)14-8-13(19)9-18(16(20)21)15(14)10-22-23(6,7)11-17(3,4)5/h8,12-13,15,19H,9-11H2,1-7H3,(H,20,21).
What are the key properties of 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 343.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 141382088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).