1,3-dimethyl-4-oxoazetidine-2-carboxylic acid

C6H9NO3 — CID 54351858

IUPAC1,3-dimethyl-4-oxoazetidine-2-carboxylic acid
SMILESCC1C(=O)N(C)C1C(=O)O
InChIInChI=1S/C6H9NO3/c1-3-4(6(9)10)7(2)5(3)8/h3-4H,1-2H3,(H,9,10)
InChIKeyUGIGDNSCMUMIJN-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.45
Rot. Bonds1

About 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid

1,3-dimethyl-4-oxoazetidine-2-carboxylic acid (PubChem CID 54351858) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-oxoazetidine-2-carboxylic acid
PubChem CID54351858
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name1,3-dimethyl-4-oxoazetidine-2-carboxylic acid
SMILESCC1C(=O)N(C)C1C(=O)O
InChIInChI=1S/C6H9NO3/c1-3-4(6(9)10)7(2)5(3)8/h3-4H,1-2H3,(H,9,10)
InChIKeyUGIGDNSCMUMIJN-UHFFFAOYSA-N
XLogP-0.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid (CID 54351858) is 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid is CC1C(=O)N(C)C1C(=O)O.
What is the InChIKey of 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid?
The InChIKey is UGIGDNSCMUMIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-4(6(9)10)7(2)5(3)8/h3-4H,1-2H3,(H,9,10).
What are the key properties of 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid?
1,3-dimethyl-4-oxoazetidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 54351858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).