3-methyl-4-oxoazetidine-2-carboxylic acid

C5H7NO3 — CID 19049951

IUPAC3-methyl-4-oxoazetidine-2-carboxylic acid
SMILESCC1C(=O)NC1C(=O)O
InChIInChI=1S/C5H7NO3/c1-2-3(5(8)9)6-4(2)7/h2-3H,1H3,(H,6,7)(H,8,9)
InChIKeyWWHYXGYHXXILGO-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.79
Rot. Bonds1

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

3-methyl-4-oxoazetidine-2-carboxylic acid (PubChem CID 19049951) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-methyl-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-oxoazetidine-2-carboxylic acid
PubChem CID19049951
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-methyl-4-oxoazetidine-2-carboxylic acid
SMILESCC1C(=O)NC1C(=O)O
InChIInChI=1S/C5H7NO3/c1-2-3(5(8)9)6-4(2)7/h2-3H,1H3,(H,6,7)(H,8,9)
InChIKeyWWHYXGYHXXILGO-UHFFFAOYSA-N
XLogP-0.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 3-methyl-4-oxoazetidine-2-carboxylic acid (CID 19049951) is 3-methyl-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-4-oxoazetidine-2-carboxylic acid is CC1C(=O)NC1C(=O)O.
What is the InChIKey of 3-methyl-4-oxoazetidine-2-carboxylic acid?
The InChIKey is WWHYXGYHXXILGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-2-3(5(8)9)6-4(2)7/h2-3H,1H3,(H,6,7)(H,8,9).
What are the key properties of 3-methyl-4-oxoazetidine-2-carboxylic acid?
3-methyl-4-oxoazetidine-2-carboxylic acid has a molecular weight of 129.11 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 19049951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).