3-ethyl-4-oxoazetidine-2-carboxylic acid

C6H9NO3 — CID 14337219

IUPAC3-ethyl-4-oxoazetidine-2-carboxylic acid
SMILESCCC1C(=O)NC1C(=O)O
InChIInChI=1S/C6H9NO3/c1-2-3-4(6(9)10)7-5(3)8/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyPRHUAYHDTPJKSC-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.40
Rot. Bonds2

About 3-ethyl-4-oxoazetidine-2-carboxylic acid

3-ethyl-4-oxoazetidine-2-carboxylic acid (PubChem CID 14337219) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-ethyl-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-oxoazetidine-2-carboxylic acid
PubChem CID14337219
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-ethyl-4-oxoazetidine-2-carboxylic acid
SMILESCCC1C(=O)NC1C(=O)O
InChIInChI=1S/C6H9NO3/c1-2-3-4(6(9)10)7-5(3)8/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyPRHUAYHDTPJKSC-UHFFFAOYSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 3-ethyl-4-oxoazetidine-2-carboxylic acid (CID 14337219) is 3-ethyl-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 3-ethyl-4-oxoazetidine-2-carboxylic acid is CCC1C(=O)NC1C(=O)O.
What is the InChIKey of 3-ethyl-4-oxoazetidine-2-carboxylic acid?
The InChIKey is PRHUAYHDTPJKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-3-4(6(9)10)7-5(3)8/h3-4H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 3-ethyl-4-oxoazetidine-2-carboxylic acid?
3-ethyl-4-oxoazetidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 14337219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).