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

C11H21NO3 — CID 63069337

IUPAC3-(3-ethylmorpholin-4-yl)pentanoic acid
SMILESCCC1COCCN1C(CC)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-9(7-11(13)14)12-5-6-15-8-10(12)4-2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyPUXJMAALVLLHAK-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds5

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

3-(3-ethylmorpholin-4-yl)pentanoic acid (PubChem CID 63069337) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(3-ethylmorpholin-4-yl)pentanoic acid.

Molecular Properties

Compound Name3-(3-ethylmorpholin-4-yl)pentanoic acid
PubChem CID63069337
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(3-ethylmorpholin-4-yl)pentanoic acid
SMILESCCC1COCCN1C(CC)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-9(7-11(13)14)12-5-6-15-8-10(12)4-2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyPUXJMAALVLLHAK-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholin-4-yl)pentanoic acid?
The IUPAC name of 3-(3-ethylmorpholin-4-yl)pentanoic acid (CID 63069337) is 3-(3-ethylmorpholin-4-yl)pentanoic acid.
What is the SMILES notation for 3-(3-ethylmorpholin-4-yl)pentanoic acid?
The canonical SMILES for 3-(3-ethylmorpholin-4-yl)pentanoic acid is CCC1COCCN1C(CC)CC(=O)O.
What is the InChIKey of 3-(3-ethylmorpholin-4-yl)pentanoic acid?
The InChIKey is PUXJMAALVLLHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(7-11(13)14)12-5-6-15-8-10(12)4-2/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-ethylmorpholin-4-yl)pentanoic acid?
3-(3-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-(3-ethylmorpholin-4-yl)pentanoic acid is sourced from PubChem (CID 63069337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).