3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C15H22N2O4 — CID 3173104

IUPAC3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1C2C=CC(C2)C1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H22N2O4/c18-14(16-3-4-17-5-7-21-8-6-17)12-10-1-2-11(9-10)13(12)15(19)20/h1-2,10-13H,3-9H2,(H,16,18)(H,19,20)
InChIKeyIEMXWVSGLVQIFE-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.04
Rot. Bonds5

About 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 3173104) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID3173104
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1C2C=CC(C2)C1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H22N2O4/c18-14(16-3-4-17-5-7-21-8-6-17)12-10-1-2-11(9-10)13(12)15(19)20/h1-2,10-13H,3-9H2,(H,16,18)(H,19,20)
InChIKeyIEMXWVSGLVQIFE-UHFFFAOYSA-N
XLogP-0.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 3173104) is 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is O=C(O)C1C2C=CC(C2)C1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is IEMXWVSGLVQIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-14(16-3-4-17-5-7-21-8-6-17)12-10-1-2-11(9-10)13(12)15(19)20/h1-2,10-13H,3-9H2,(H,16,18)(H,19,20).
What are the key properties of 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 3173104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).