3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid

C10H11NO3S — CID 3815065

IUPAC3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid
SMILESCC1(C)CN(c2ccsc2C(=O)O)C1=O
InChIInChI=1S/C10H11NO3S/c1-10(2)5-11(9(10)14)6-3-4-15-7(6)8(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyGCTMNVHGERHJLE-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.82
Rot. Bonds2

About 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid

3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid (PubChem CID 3815065) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid
PubChem CID3815065
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid
SMILESCC1(C)CN(c2ccsc2C(=O)O)C1=O
InChIInChI=1S/C10H11NO3S/c1-10(2)5-11(9(10)14)6-3-4-15-7(6)8(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyGCTMNVHGERHJLE-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid (CID 3815065) is 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid is CC1(C)CN(c2ccsc2C(=O)O)C1=O.
What is the InChIKey of 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid?
The InChIKey is GCTMNVHGERHJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-10(2)5-11(9(10)14)6-3-4-15-7(6)8(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid?
3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2-oxoazetidin-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 3815065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).