methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate

C13H18N2O3 — CID 155353640

IUPACmethyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1N1[C@@H](C)COC[C@@H]1C
InChIInChI=1S/C13H18N2O3/c1-9-7-18-8-10(2)15(9)12-6-14-5-4-11(12)13(16)17-3/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyCWOOVIHUUDTQPJ-UWVGGRQHSA-N
MW250.30 g/mol
LogP1.48
Rot. Bonds2

About methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate

methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate (PubChem CID 155353640) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate
PubChem CID155353640
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1N1[C@@H](C)COC[C@@H]1C
InChIInChI=1S/C13H18N2O3/c1-9-7-18-8-10(2)15(9)12-6-14-5-4-11(12)13(16)17-3/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyCWOOVIHUUDTQPJ-UWVGGRQHSA-N
XLogP1.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate (CID 155353640) is methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate is COC(=O)c1ccncc1N1[C@@H](C)COC[C@@H]1C.
What is the InChIKey of methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate?
The InChIKey is CWOOVIHUUDTQPJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-7-18-8-10(2)15(9)12-6-14-5-4-11(12)13(16)17-3/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate?
methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxylate is sourced from PubChem (CID 155353640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).