1-(2-oxoethyl)azetidine-3-carboxylic acid

C6H9NO3 — CID 134282247

IUPAC1-(2-oxoethyl)azetidine-3-carboxylic acid
SMILESO=CCN1CC(C(=O)O)C1
InChIInChI=1S/C6H9NO3/c8-2-1-7-3-5(4-7)6(9)10/h2,5H,1,3-4H2,(H,9,10)
InChIKeyOIAMRYQLNREADC-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.80
Rot. Bonds3

About 1-(2-oxoethyl)azetidine-3-carboxylic acid

1-(2-oxoethyl)azetidine-3-carboxylic acid (PubChem CID 134282247) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 1-(2-oxoethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxoethyl)azetidine-3-carboxylic acid
PubChem CID134282247
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name1-(2-oxoethyl)azetidine-3-carboxylic acid
SMILESO=CCN1CC(C(=O)O)C1
InChIInChI=1S/C6H9NO3/c8-2-1-7-3-5(4-7)6(9)10/h2,5H,1,3-4H2,(H,9,10)
InChIKeyOIAMRYQLNREADC-UHFFFAOYSA-N
XLogP-0.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxoethyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2-oxoethyl)azetidine-3-carboxylic acid (CID 134282247) is 1-(2-oxoethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-oxoethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2-oxoethyl)azetidine-3-carboxylic acid is O=CCN1CC(C(=O)O)C1.
What is the InChIKey of 1-(2-oxoethyl)azetidine-3-carboxylic acid?
The InChIKey is OIAMRYQLNREADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-2-1-7-3-5(4-7)6(9)10/h2,5H,1,3-4H2,(H,9,10).
What are the key properties of 1-(2-oxoethyl)azetidine-3-carboxylic acid?
1-(2-oxoethyl)azetidine-3-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 134282247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).