ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate

C17H23NO2 — CID 15697769

IUPACethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC=C[C@H](C)N1[C@H](C)c1ccccc1
InChIInChI=1S/C17H23NO2/c1-4-20-17(19)16-12-8-9-13(2)18(16)14(3)15-10-6-5-7-11-15/h5-11,13-14,16H,4,12H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyRZLXFSGTRMQJOX-LZWOXQAQSA-N
MW273.38 g/mol
LogP3.33
Rot. Bonds4

About ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate

ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate (PubChem CID 15697769) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate
PubChem CID15697769
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC=C[C@H](C)N1[C@H](C)c1ccccc1
InChIInChI=1S/C17H23NO2/c1-4-20-17(19)16-12-8-9-13(2)18(16)14(3)15-10-6-5-7-11-15/h5-11,13-14,16H,4,12H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyRZLXFSGTRMQJOX-LZWOXQAQSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate?
The IUPAC name of ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate (CID 15697769) is ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate.
What is the SMILES notation for ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate?
The canonical SMILES for ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate is CCOC(=O)[C@@H]1CC=C[C@H](C)N1[C@H](C)c1ccccc1.
What is the InChIKey of ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate?
The InChIKey is RZLXFSGTRMQJOX-LZWOXQAQSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-20-17(19)16-12-8-9-13(2)18(16)14(3)15-10-6-5-7-11-15/h5-11,13-14,16H,4,12H2,1-3H3/t13-,14+,16-/m0/s1.
What are the key properties of ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate?
ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,6S)-6-methyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine-2-carboxylate is sourced from PubChem (CID 15697769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).