1-cyclopropyl-2-oxoazetidine-3-carboxylic acid

C7H9NO3 — CID 82467868

IUPAC1-cyclopropyl-2-oxoazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2CC2)C1=O
InChIInChI=1S/C7H9NO3/c9-6-5(7(10)11)3-8(6)4-1-2-4/h4-5H,1-3H2,(H,10,11)
InChIKeyLLILRVXEURWEMY-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.31
Rot. Bonds2

About 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid

1-cyclopropyl-2-oxoazetidine-3-carboxylic acid (PubChem CID 82467868) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-oxoazetidine-3-carboxylic acid
PubChem CID82467868
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1-cyclopropyl-2-oxoazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2CC2)C1=O
InChIInChI=1S/C7H9NO3/c9-6-5(7(10)11)3-8(6)4-1-2-4/h4-5H,1-3H2,(H,10,11)
InChIKeyLLILRVXEURWEMY-UHFFFAOYSA-N
XLogP-0.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid (CID 82467868) is 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid is O=C(O)C1CN(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid?
The InChIKey is LLILRVXEURWEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-6-5(7(10)11)3-8(6)4-1-2-4/h4-5H,1-3H2,(H,10,11).
What are the key properties of 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid?
1-cyclopropyl-2-oxoazetidine-3-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxoazetidine-3-carboxylic acid is sourced from PubChem (CID 82467868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).