5-(2,5-dimethylmorpholin-4-yl)pentanoic acid

C11H21NO3 — CID 43544796

IUPAC5-(2,5-dimethylmorpholin-4-yl)pentanoic acid
SMILESCC1CN(CCCCC(=O)O)C(C)CO1
InChIInChI=1S/C11H21NO3/c1-9-8-15-10(2)7-12(9)6-4-3-5-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXPBWKBJFXKFTHU-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds5

About 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid

5-(2,5-dimethylmorpholin-4-yl)pentanoic acid (PubChem CID 43544796) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2,5-dimethylmorpholin-4-yl)pentanoic acid
PubChem CID43544796
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-(2,5-dimethylmorpholin-4-yl)pentanoic acid
SMILESCC1CN(CCCCC(=O)O)C(C)CO1
InChIInChI=1S/C11H21NO3/c1-9-8-15-10(2)7-12(9)6-4-3-5-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXPBWKBJFXKFTHU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid?
The IUPAC name of 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid (CID 43544796) is 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid.
What is the SMILES notation for 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid?
The canonical SMILES for 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid is CC1CN(CCCCC(=O)O)C(C)CO1.
What is the InChIKey of 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid?
The InChIKey is XPBWKBJFXKFTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9-8-15-10(2)7-12(9)6-4-3-5-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid?
5-(2,5-dimethylmorpholin-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 5-(2,5-dimethylmorpholin-4-yl)pentanoic acid is sourced from PubChem (CID 43544796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).