methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate

C10H19NO3 — CID 43866476

IUPACmethyl 2-(2,6-dimethylmorpholin-4-yl)propanoate
SMILESCOC(=O)C(C)N1CC(C)OC(C)C1
InChIInChI=1S/C10H19NO3/c1-7-5-11(6-8(2)14-7)9(3)10(12)13-4/h7-9H,5-6H2,1-4H3
InChIKeyZKCRIKYQFUMXLX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds2

About methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate

methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate (PubChem CID 43866476) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethylmorpholin-4-yl)propanoate
PubChem CID43866476
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(2,6-dimethylmorpholin-4-yl)propanoate
SMILESCOC(=O)C(C)N1CC(C)OC(C)C1
InChIInChI=1S/C10H19NO3/c1-7-5-11(6-8(2)14-7)9(3)10(12)13-4/h7-9H,5-6H2,1-4H3
InChIKeyZKCRIKYQFUMXLX-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate?
The IUPAC name of methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate (CID 43866476) is methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate.
What is the SMILES notation for methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate?
The canonical SMILES for methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate is COC(=O)C(C)N1CC(C)OC(C)C1.
What is the InChIKey of methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate?
The InChIKey is ZKCRIKYQFUMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-5-11(6-8(2)14-7)9(3)10(12)13-4/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate?
methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethylmorpholin-4-yl)propanoate is sourced from PubChem (CID 43866476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).