4-(dimethylamino)-4-(oxan-4-yl)butanoic acid

C11H21NO3 — CID 116907880

IUPAC4-(dimethylamino)-4-(oxan-4-yl)butanoic acid
SMILESCN(C)C(CCC(=O)O)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-12(2)10(3-4-11(13)14)9-5-7-15-8-6-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLECWRKNANUFZDQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid

4-(dimethylamino)-4-(oxan-4-yl)butanoic acid (PubChem CID 116907880) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-4-(oxan-4-yl)butanoic acid
PubChem CID116907880
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-(dimethylamino)-4-(oxan-4-yl)butanoic acid
SMILESCN(C)C(CCC(=O)O)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-12(2)10(3-4-11(13)14)9-5-7-15-8-6-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLECWRKNANUFZDQ-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid?
The IUPAC name of 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid (CID 116907880) is 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid.
What is the SMILES notation for 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid?
The canonical SMILES for 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid is CN(C)C(CCC(=O)O)C1CCOCC1.
What is the InChIKey of 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid?
The InChIKey is LECWRKNANUFZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-12(2)10(3-4-11(13)14)9-5-7-15-8-6-9/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid?
4-(dimethylamino)-4-(oxan-4-yl)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(oxan-4-yl)butanoic acid is sourced from PubChem (CID 116907880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).