methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate

C15H19NO3Se — CID 56927624

IUPACmethyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(C)[C@H](OC)[C@@H]([Se]c2ccccc2)C1
InChIInChI=1S/C15H19NO3Se/c1-16-10-11(15(17)19-3)9-13(14(16)18-2)20-12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3/t13-,14+/m0/s1
InChIKeyIZZLSEKSHVLCLK-UONOGXRCSA-N
MW340.28 g/mol
LogP1.17
Rot. Bonds4

About methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate

methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate (PubChem CID 56927624) has the molecular formula C15H19NO3Se and a molecular weight of 340.28 g/mol. Its IUPAC name is methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate
PubChem CID56927624
Molecular FormulaC15H19NO3Se
Molecular Weight340.28 g/mol
Exact Mass341.05
IUPAC Namemethyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(C)[C@H](OC)[C@@H]([Se]c2ccccc2)C1
InChIInChI=1S/C15H19NO3Se/c1-16-10-11(15(17)19-3)9-13(14(16)18-2)20-12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3/t13-,14+/m0/s1
InChIKeyIZZLSEKSHVLCLK-UONOGXRCSA-N
XLogP1.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate (CID 56927624) is methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CN(C)[C@H](OC)[C@@H]([Se]c2ccccc2)C1.
What is the InChIKey of methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is IZZLSEKSHVLCLK-UONOGXRCSA-N. The full InChI is InChI=1S/C15H19NO3Se/c1-16-10-11(15(17)19-3)9-13(14(16)18-2)20-12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate?
methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 340.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-methoxy-1-methyl-3-phenylselanyl-3,4-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 56927624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).