[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate

C17H22N2O5 — CID 124859965

IUPAC[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
SMILESC[C@@H]1C[C@H](OC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C(=O)O1
InChIInChI=1S/C17H22N2O5/c1-10-6-14(17(21)23-10)24-16(20)13-4-5-15(18-7-13)19-8-11(2)22-12(3)9-19/h4-5,7,10-12,14H,6,8-9H2,1-3H3/t10-,11+,12+,14+/m1/s1
InChIKeyRDTMRLNFIPYIJO-UHXUPSOCSA-N
MW334.37 g/mol
LogP1.56
Rot. Bonds3

About [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate

[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate (PubChem CID 124859965) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
PubChem CID124859965
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
SMILESC[C@@H]1C[C@H](OC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C(=O)O1
InChIInChI=1S/C17H22N2O5/c1-10-6-14(17(21)23-10)24-16(20)13-4-5-15(18-7-13)19-8-11(2)22-12(3)9-19/h4-5,7,10-12,14H,6,8-9H2,1-3H3/t10-,11+,12+,14+/m1/s1
InChIKeyRDTMRLNFIPYIJO-UHXUPSOCSA-N
XLogP1.56
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoate
CID 124866778
prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 97311380
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
[(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 100851644
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446
[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate
CID 51930960
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
N'-(cyclopropanecarbonyl)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 37319900
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700403
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700400
N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43071668

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
The IUPAC name of [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate (CID 124859965) is [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate is C[C@@H]1C[C@H](OC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C(=O)O1.
What is the InChIKey of [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
The InChIKey is RDTMRLNFIPYIJO-UHXUPSOCSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-10-6-14(17(21)23-10)24-16(20)13-4-5-15(18-7-13)19-8-11(2)22-12(3)9-19/h4-5,7,10-12,14H,6,8-9H2,1-3H3/t10-,11+,12+,14+/m1/s1.
What are the key properties of [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate?
[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 124859965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).