[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C15H26N2O4 — CID 98787381

IUPAC[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C15H26N2O4/c1-2-12-9-17(15(18)14-11-20-7-8-21-14)10-13(12)16-3-5-19-6-4-16/h12-14H,2-11H2,1H3/t12-,13+,14-/m1/s1
InChIKeyCWCKHTFWTZLYPT-HZSPNIEDSA-N
MW298.38 g/mol
LogP-0.03
Rot. Bonds3

About [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 98787381) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID98787381
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C15H26N2O4/c1-2-12-9-17(15(18)14-11-20-7-8-21-14)10-13(12)16-3-5-19-6-4-16/h12-14H,2-11H2,1H3/t12-,13+,14-/m1/s1
InChIKeyCWCKHTFWTZLYPT-HZSPNIEDSA-N
XLogP-0.03
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 98787381) is [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is CC[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1N1CCOCC1.
What is the InChIKey of [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is CWCKHTFWTZLYPT-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-12-9-17(15(18)14-11-20-7-8-21-14)10-13(12)16-3-5-19-6-4-16/h12-14H,2-11H2,1H3/t12-,13+,14-/m1/s1.
What are the key properties of [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 298.38 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 98787381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).