4-oxoazetidine-2-carboxylic acid

C4H5NO3 — CID 3488064

IUPAC4-oxoazetidine-2-carboxylic acid
SMILESO=C1CC(C(=O)O)N1
InChIInChI=1S/C4H5NO3/c6-3-1-2(5-3)4(7)8/h2H,1H2,(H,5,6)(H,7,8)
InChIKeyYSPMLLKKKHCTBN-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.04
Rot. Bonds1

About 4-oxoazetidine-2-carboxylic acid

4-oxoazetidine-2-carboxylic acid (PubChem CID 3488064) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxoazetidine-2-carboxylic acid
PubChem CID3488064
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name4-oxoazetidine-2-carboxylic acid
SMILESO=C1CC(C(=O)O)N1
InChIInChI=1S/C4H5NO3/c6-3-1-2(5-3)4(7)8/h2H,1H2,(H,5,6)(H,7,8)
InChIKeyYSPMLLKKKHCTBN-UHFFFAOYSA-N
XLogP-1.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 4-oxoazetidine-2-carboxylic acid (CID 3488064) is 4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 4-oxoazetidine-2-carboxylic acid is O=C1CC(C(=O)O)N1.
What is the InChIKey of 4-oxoazetidine-2-carboxylic acid?
The InChIKey is YSPMLLKKKHCTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-3-1-2(5-3)4(7)8/h2H,1H2,(H,5,6)(H,7,8).
What are the key properties of 4-oxoazetidine-2-carboxylic acid?
4-oxoazetidine-2-carboxylic acid has a molecular weight of 115.09 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 3488064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).