3-(2-ethylmorpholin-4-yl)pentanoic acid

C11H21NO3 — CID 63067067

IUPAC3-(2-ethylmorpholin-4-yl)pentanoic acid
SMILESCCC1CN(C(CC)CC(=O)O)CCO1
InChIInChI=1S/C11H21NO3/c1-3-9(7-11(13)14)12-5-6-15-10(4-2)8-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyFBGFEDIBOGQGJK-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds5

About 3-(2-ethylmorpholin-4-yl)pentanoic acid

3-(2-ethylmorpholin-4-yl)pentanoic acid (PubChem CID 63067067) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(2-ethylmorpholin-4-yl)pentanoic acid.

Molecular Properties

Compound Name3-(2-ethylmorpholin-4-yl)pentanoic acid
PubChem CID63067067
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(2-ethylmorpholin-4-yl)pentanoic acid
SMILESCCC1CN(C(CC)CC(=O)O)CCO1
InChIInChI=1S/C11H21NO3/c1-3-9(7-11(13)14)12-5-6-15-10(4-2)8-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyFBGFEDIBOGQGJK-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Morpholin-4-yl)butanoic acid
CID 20447262
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
CID 55146697
4,4,4-Trifluoro-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 55147090
3-(5-Ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
CID 55148249
3-(2-Ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
CID 63067579
4,4,4-Trifluoro-3-(2-methylmorpholin-4-yl)butanoic acid
CID 63068400
3-(2,5-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
CID 63069146
3-(3-Ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 63073001
4,4,4-Trifluoro-3-(3-propoxypiperidin-1-yl)butanoic acid
CID 63075262
4,4,4-Trifluoro-3-(3-methoxypiperidin-1-yl)butanoic acid
CID 102968619
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,4,4-trifluorobutanoic acid
CID 104961258
3-(2,6-Dimethylmorpholin-4-yl)propanoic acid
CID 3163248

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholin-4-yl)pentanoic acid?
The IUPAC name of 3-(2-ethylmorpholin-4-yl)pentanoic acid (CID 63067067) is 3-(2-ethylmorpholin-4-yl)pentanoic acid.
What is the SMILES notation for 3-(2-ethylmorpholin-4-yl)pentanoic acid?
The canonical SMILES for 3-(2-ethylmorpholin-4-yl)pentanoic acid is CCC1CN(C(CC)CC(=O)O)CCO1.
What is the InChIKey of 3-(2-ethylmorpholin-4-yl)pentanoic acid?
The InChIKey is FBGFEDIBOGQGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(7-11(13)14)12-5-6-15-10(4-2)8-12/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-ethylmorpholin-4-yl)pentanoic acid?
3-(2-ethylmorpholin-4-yl)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholin-4-yl)pentanoic acid is sourced from PubChem (CID 63067067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).