methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate

C11H21NO3 — CID 43544788

IUPACmethyl 4-(2,5-dimethylmorpholin-4-yl)butanoate
SMILESCOC(=O)CCCN1CC(C)OCC1C
InChIInChI=1S/C11H21NO3/c1-9-8-15-10(2)7-12(9)6-4-5-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWWYHCPAGEASFNT-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds4

About methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate

methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate (PubChem CID 43544788) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,5-dimethylmorpholin-4-yl)butanoate
PubChem CID43544788
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 4-(2,5-dimethylmorpholin-4-yl)butanoate
SMILESCOC(=O)CCCN1CC(C)OCC1C
InChIInChI=1S/C11H21NO3/c1-9-8-15-10(2)7-12(9)6-4-5-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWWYHCPAGEASFNT-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392282
ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392283
methyl 4-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetyl]amino]butanoate
CID 94062951
3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 43430768
3-(2,5-dimethylmorpholin-4-yl)propanethioamide
CID 43544623
4-(2,5-dimethylmorpholin-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 62432075
methyl 4-(4-amino-2-methylpiperidin-1-yl)butanoate
CID 115313229
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806
N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopropanamine
CID 60841046
methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79565986
3-[(2S,5S)-2,5-dimethylmorpholin-4-yl]propanenitrile
CID 45088973
[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine
CID 104649820

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate?
The IUPAC name of methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate (CID 43544788) is methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate.
What is the SMILES notation for methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate?
The canonical SMILES for methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate is COC(=O)CCCN1CC(C)OCC1C.
What is the InChIKey of methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate?
The InChIKey is WWYHCPAGEASFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9-8-15-10(2)7-12(9)6-4-5-11(13)14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate?
methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate is sourced from PubChem (CID 43544788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).