4-(2,2-dimethylmorpholin-4-yl)butanoic acid

C10H19NO3 — CID 43593005

IUPAC4-(2,2-dimethylmorpholin-4-yl)butanoic acid
SMILESCC1(C)CN(CCCC(=O)O)CCO1
InChIInChI=1S/C10H19NO3/c1-10(2)8-11(6-7-14-10)5-3-4-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyMOWXVHUBFNYYIL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds4

About 4-(2,2-dimethylmorpholin-4-yl)butanoic acid

4-(2,2-dimethylmorpholin-4-yl)butanoic acid (PubChem CID 43593005) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)butanoic acid
PubChem CID43593005
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)butanoic acid
SMILESCC1(C)CN(CCCC(=O)O)CCO1
InChIInChI=1S/C10H19NO3/c1-10(2)8-11(6-7-14-10)5-3-4-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyMOWXVHUBFNYYIL-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(2,2-dimethylmorpholin-4-yl)butanoic acid?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)butanoic acid (CID 43593005) is 4-(2,2-dimethylmorpholin-4-yl)butanoic acid.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)butanoic acid?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)butanoic acid is CC1(C)CN(CCCC(=O)O)CCO1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)butanoic acid?
The InChIKey is MOWXVHUBFNYYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)8-11(6-7-14-10)5-3-4-9(12)13/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)butanoic acid?
4-(2,2-dimethylmorpholin-4-yl)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)butanoic acid is sourced from PubChem (CID 43593005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).