5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid

C11H15NO5 — CID 89365333

IUPAC5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid
SMILESO=C(O)C1COC2C=CC2C1C(=O)NCCO
InChIInChI=1S/C11H15NO5/c13-4-3-12-10(14)9-6-1-2-8(6)17-5-7(9)11(15)16/h1-2,6-9,13H,3-5H2,(H,12,14)(H,15,16)
InChIKeyBWVCTLXBBVLCSN-UHFFFAOYSA-N
MW241.24 g/mol
LogP-1.00
Rot. Bonds4

About 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid

5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid (PubChem CID 89365333) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid
PubChem CID89365333
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid
SMILESO=C(O)C1COC2C=CC2C1C(=O)NCCO
InChIInChI=1S/C11H15NO5/c13-4-3-12-10(14)9-6-1-2-8(6)17-5-7(9)11(15)16/h1-2,6-9,13H,3-5H2,(H,12,14)(H,15,16)
InChIKeyBWVCTLXBBVLCSN-UHFFFAOYSA-N
XLogP-1.00
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
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 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid?
The IUPAC name of 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid (CID 89365333) is 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid is O=C(O)C1COC2C=CC2C1C(=O)NCCO.
What is the InChIKey of 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid?
The InChIKey is BWVCTLXBBVLCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c13-4-3-12-10(14)9-6-1-2-8(6)17-5-7(9)11(15)16/h1-2,6-9,13H,3-5H2,(H,12,14)(H,15,16).
What are the key properties of 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid?
5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylcarbamoyl)-2-oxabicyclo[4.2.0]oct-7-ene-4-carboxylic acid is sourced from PubChem (CID 89365333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).