methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate

C14H20N2O3 — CID 97064914

IUPACmethyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(CCc2ccncc2)C[C@@H](C)O1
InChIInChI=1S/C14H20N2O3/c1-11-9-16(10-13(19-11)14(17)18-2)8-5-12-3-6-15-7-4-12/h3-4,6-7,11,13H,5,8-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyCULUGBOISVQPCM-DGCLKSJQSA-N
MW264.32 g/mol
LogP0.89
Rot. Bonds4

About methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate

methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate (PubChem CID 97064914) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
PubChem CID97064914
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(CCc2ccncc2)C[C@@H](C)O1
InChIInChI=1S/C14H20N2O3/c1-11-9-16(10-13(19-11)14(17)18-2)8-5-12-3-6-15-7-4-12/h3-4,6-7,11,13H,5,8-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyCULUGBOISVQPCM-DGCLKSJQSA-N
XLogP0.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate (CID 97064914) is methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate is COC(=O)[C@H]1CN(CCc2ccncc2)C[C@@H](C)O1.
What is the InChIKey of methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate?
The InChIKey is CULUGBOISVQPCM-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-9-16(10-13(19-11)14(17)18-2)8-5-12-3-6-15-7-4-12/h3-4,6-7,11,13H,5,8-10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate?
methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate is sourced from PubChem (CID 97064914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).