benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C15H20N2O3 — CID 102343903

IUPACbenzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCO[C@@H]1C=C[C@H](N)[C@@H](C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11-13(16)8-9-14(19-2)17(11)15(18)20-10-12-6-4-3-5-7-12/h3-9,11,13-14H,10,16H2,1-2H3/t11-,13+,14-/m1/s1
InChIKeyZIZDSJNQCNUMCY-KWCYVHTRSA-N
MW276.34 g/mol
LogP1.88
Rot. Bonds3

About benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 102343903) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID102343903
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCO[C@@H]1C=C[C@H](N)[C@@H](C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11-13(16)8-9-14(19-2)17(11)15(18)20-10-12-6-4-3-5-7-12/h3-9,11,13-14H,10,16H2,1-2H3/t11-,13+,14-/m1/s1
InChIKeyZIZDSJNQCNUMCY-KWCYVHTRSA-N
XLogP1.88
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
benzyl (2R,3S,6R)-6-methoxy-2-methyl-3-[(4-nitrophenyl)sulfonylamino]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 101481458
benzyl (2S,5R)-2-(methoxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 102294969
benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
CID 175946154
benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
CID 168975628
benzyl (2S,3S)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-methylaziridine-1-carboxylate
CID 102484180
1-O-benzyl 3-O-methyl (2R,3R,4S,5S)-4-amino-2-methyl-5-phenylpyrrolidine-1,3-dicarboxylate
CID 15454895
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl (2S)-2-(hydroxymethyl)-5-methoxypyrrolidine-1-carboxylate
CID 101130465
benzyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]-5-methylpyrrolidine-1-carboxylate
CID 23626155
benzyl (2R,3S,4S,5S)-4-amino-3-(hydroxymethyl)-2-methyl-5-phenylpyrrolidine-1-carboxylate
CID 70304033

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 102343903) is benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is CO[C@@H]1C=C[C@H](N)[C@@H](C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is ZIZDSJNQCNUMCY-KWCYVHTRSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-13(16)8-9-14(19-2)17(11)15(18)20-10-12-6-4-3-5-7-12/h3-9,11,13-14H,10,16H2,1-2H3/t11-,13+,14-/m1/s1.
What are the key properties of benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3S,6R)-3-amino-6-methoxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 102343903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).