1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid

C11H21NO3 — CID 123411679

IUPAC1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid
SMILESCN(C)CCOCCC1(C(=O)O)CCC1
InChIInChI=1S/C11H21NO3/c1-12(2)7-9-15-8-6-11(10(13)14)4-3-5-11/h3-9H2,1-2H3,(H,13,14)
InChIKeyGNDOYVVIWZQAEW-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds7

About 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid

1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid (PubChem CID 123411679) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid
PubChem CID123411679
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid
SMILESCN(C)CCOCCC1(C(=O)O)CCC1
InChIInChI=1S/C11H21NO3/c1-12(2)7-9-15-8-6-11(10(13)14)4-3-5-11/h3-9H2,1-2H3,(H,13,14)
InChIKeyGNDOYVVIWZQAEW-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid (CID 123411679) is 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid is CN(C)CCOCCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is GNDOYVVIWZQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-12(2)7-9-15-8-6-11(10(13)14)4-3-5-11/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid?
1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 123411679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).