3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C16H23NO4 — CID 43578295

IUPAC3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)C1C2C=CC(C2)C1C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-12-8-21-9(2)7-17(12)15(18)13-10-4-5-11(6-10)14(13)16(19)20/h4-5,9-14H,3,6-8H2,1-2H3,(H,19,20)
InChIKeyJUCYNYXOQUEQCW-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.54
Rot. Bonds3

About 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 43578295) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID43578295
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)C1C2C=CC(C2)C1C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-12-8-21-9(2)7-17(12)15(18)13-10-4-5-11(6-10)14(13)16(19)20/h4-5,9-14H,3,6-8H2,1-2H3,(H,19,20)
InChIKeyJUCYNYXOQUEQCW-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 43578295) is 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is CCC1COC(C)CN1C(=O)C1C2C=CC(C2)C1C(=O)O.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is JUCYNYXOQUEQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-12-8-21-9(2)7-17(12)15(18)13-10-4-5-11(6-10)14(13)16(19)20/h4-5,9-14H,3,6-8H2,1-2H3,(H,19,20).
What are the key properties of 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 43578295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).