4-(2-ethylmorpholin-4-yl)butanoic acid

C10H19NO3 — CID 43562864

IUPAC4-(2-ethylmorpholin-4-yl)butanoic acid
SMILESCCC1CN(CCCC(=O)O)CCO1
InChIInChI=1S/C10H19NO3/c1-2-9-8-11(6-7-14-9)5-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyDFQUIWNNNHTIDC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About 4-(2-ethylmorpholin-4-yl)butanoic acid

4-(2-ethylmorpholin-4-yl)butanoic acid (PubChem CID 43562864) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)butanoic acid
PubChem CID43562864
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(2-ethylmorpholin-4-yl)butanoic acid
SMILESCCC1CN(CCCC(=O)O)CCO1
InChIInChI=1S/C10H19NO3/c1-2-9-8-11(6-7-14-9)5-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyDFQUIWNNNHTIDC-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)butanoic acid?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)butanoic acid (CID 43562864) is 4-(2-ethylmorpholin-4-yl)butanoic acid.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)butanoic acid?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)butanoic acid is CCC1CN(CCCC(=O)O)CCO1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)butanoic acid?
The InChIKey is DFQUIWNNNHTIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-9-8-11(6-7-14-9)5-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-(2-ethylmorpholin-4-yl)butanoic acid?
4-(2-ethylmorpholin-4-yl)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)butanoic acid is sourced from PubChem (CID 43562864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).