dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate

C14H23NO5Si — CID 101092251

IUPACdimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](C(=O)OC)N(C(C)=O)C=C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H23NO5Si/c1-9(16)15-8-7-10(21(4,5)6)11(13(17)19-2)12(15)14(18)20-3/h7-8,10-12H,1-6H3/t10-,11+,12-/m0/s1
InChIKeySKGVBVPDIJFQJW-TUAOUCFPSA-N
MW313.43 g/mol
LogP1.40
Rot. Bonds3

About dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate

dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate (PubChem CID 101092251) has the molecular formula C14H23NO5Si and a molecular weight of 313.43 g/mol. Its IUPAC name is dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate
PubChem CID101092251
Molecular FormulaC14H23NO5Si
Molecular Weight313.43 g/mol
Exact Mass313.13
IUPAC Namedimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)[C@H]1[C@@H](C(=O)OC)N(C(C)=O)C=C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C14H23NO5Si/c1-9(16)15-8-7-10(21(4,5)6)11(13(17)19-2)12(15)14(18)20-3/h7-8,10-12H,1-6H3/t10-,11+,12-/m0/s1
InChIKeySKGVBVPDIJFQJW-TUAOUCFPSA-N
XLogP1.40
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate (CID 101092251) is dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate is COC(=O)[C@H]1[C@@H](C(=O)OC)N(C(C)=O)C=C[C@@H]1[Si](C)(C)C.
What is the InChIKey of dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate?
The InChIKey is SKGVBVPDIJFQJW-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H23NO5Si/c1-9(16)15-8-7-10(21(4,5)6)11(13(17)19-2)12(15)14(18)20-3/h7-8,10-12H,1-6H3/t10-,11+,12-/m0/s1.
What are the key properties of dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate?
dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate has a molecular weight of 313.43 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,3R,4S)-1-acetyl-4-trimethylsilyl-3,4-dihydro-2H-pyridine-2,3-dicarboxylate is sourced from PubChem (CID 101092251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).