3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid

C11H19NO4 — CID 106823937

IUPAC3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(C(=O)O)(N2CCOCC2)C1
InChIInChI=1S/C11H19NO4/c1-2-16-9-7-11(8-9,10(13)14)12-3-5-15-6-4-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyHXMJSRTWGGALDB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.34
Rot. Bonds4

About 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid

3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid (PubChem CID 106823937) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid
PubChem CID106823937
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(C(=O)O)(N2CCOCC2)C1
InChIInChI=1S/C11H19NO4/c1-2-16-9-7-11(8-9,10(13)14)12-3-5-15-6-4-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyHXMJSRTWGGALDB-UHFFFAOYSA-N
XLogP0.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid (CID 106823937) is 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid is CCOC1CC(C(=O)O)(N2CCOCC2)C1.
What is the InChIKey of 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid?
The InChIKey is HXMJSRTWGGALDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-9-7-11(8-9,10(13)14)12-3-5-15-6-4-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid?
3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-morpholin-4-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 106823937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).