6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

C16H31NO4Si — CID 141382082

IUPAC6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1=C(C)C(CO[Si](C)(C)CC(C)(C)C)N(C(=O)O)CC1O
InChIInChI=1S/C16H31NO4Si/c1-11-12(2)14(18)8-17(15(19)20)13(11)9-21-22(6,7)10-16(3,4)5/h13-14,18H,8-10H2,1-7H3,(H,19,20)
InChIKeyDXANTBISTMNJIU-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.31
Rot. Bonds4

About 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 141382082) has the molecular formula C16H31NO4Si and a molecular weight of 329.51 g/mol. Its IUPAC name is 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID141382082
Molecular FormulaC16H31NO4Si
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Name6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC1=C(C)C(CO[Si](C)(C)CC(C)(C)C)N(C(=O)O)CC1O
InChIInChI=1S/C16H31NO4Si/c1-11-12(2)14(18)8-17(15(19)20)13(11)9-21-22(6,7)10-16(3,4)5/h13-14,18H,8-10H2,1-7H3,(H,19,20)
InChIKeyDXANTBISTMNJIU-UHFFFAOYSA-N
XLogP3.31
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
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'}

Analyze 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-cyclopropyl-6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 141382087
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
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 162091438
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 123400116
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 141362787
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-oxopiperidine-1-carboxylic acid
CID 66590923
(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid
CID 174233839
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 69348864
(2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid
CID 170339024
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91568304

Frequently Asked Questions

What is the IUPAC name of 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 141382082) is 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC1=C(C)C(CO[Si](C)(C)CC(C)(C)C)N(C(=O)O)CC1O.
What is the InChIKey of 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is DXANTBISTMNJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4Si/c1-11-12(2)14(18)8-17(15(19)20)13(11)9-21-22(6,7)10-16(3,4)5/h13-14,18H,8-10H2,1-7H3,(H,19,20).
What are the key properties of 6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
6-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3-hydroxy-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 329.51 g/mol, XLogP of 3.31, 4 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-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 141382082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).