2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid

C14H23NO5 — CID 65238238

IUPAC2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1COCCO1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23NO5/c1-15(13(18)11-10-19-7-8-20-11)14(9-12(16)17)5-3-2-4-6-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyAEMINPIORXQXLH-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds4

About 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 65238238) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID65238238
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1COCCO1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23NO5/c1-15(13(18)11-10-19-7-8-20-11)14(9-12(16)17)5-3-2-4-6-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyAEMINPIORXQXLH-UHFFFAOYSA-N
XLogP1.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid (CID 65238238) is 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid is CN(C(=O)C1COCCO1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is AEMINPIORXQXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-15(13(18)11-10-19-7-8-20-11)14(9-12(16)17)5-3-2-4-6-14/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1,4-dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65238238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).