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

C17H31NO4Si — CID 141382087

IUPAC5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)C[Si](C)(C)OCC1C(C2CC2)=CC(O)CN1C(=O)O
InChIInChI=1S/C17H31NO4Si/c1-17(2,3)11-23(4,5)22-10-15-14(12-6-7-12)8-13(19)9-18(15)16(20)21/h8,12-13,15,19H,6-7,9-11H2,1-5H3,(H,20,21)
InChIKeyGKUVMHWPDRNXJK-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.31
Rot. Bonds5

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

5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 141382087) has the molecular formula C17H31NO4Si and a molecular weight of 341.52 g/mol. Its IUPAC name is 5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID141382087
Molecular FormulaC17H31NO4Si
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC Name5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)C[Si](C)(C)OCC1C(C2CC2)=CC(O)CN1C(=O)O
InChIInChI=1S/C17H31NO4Si/c1-17(2,3)11-23(4,5)22-10-15-14(12-6-7-12)8-13(19)9-18(15)16(20)21/h8,12-13,15,19H,6-7,9-11H2,1-5H3,(H,20,21)
InChIKeyGKUVMHWPDRNXJK-UHFFFAOYSA-N
XLogP3.31
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.31
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'}

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Related Compounds

6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 141382088
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
6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 67617252
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 161325711
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
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90457958
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 69348864
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylic acid
CID 175419157
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 5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 141382087) is 5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC(C)(C)C[Si](C)(C)OCC1C(C2CC2)=CC(O)CN1C(=O)O.
What is the InChIKey of 5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is GKUVMHWPDRNXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4Si/c1-17(2,3)11-23(4,5)22-10-15-14(12-6-7-12)8-13(19)9-18(15)16(20)21/h8,12-13,15,19H,6-7,9-11H2,1-5H3,(H,20,21).
What are the key properties of 5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid?
5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 341.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 141382087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).