2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid

C8H13NO4 — CID 143232325

IUPAC2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid
SMILESCCC(C(=O)O)N1C(=O)OC1(C)C
InChIInChI=1S/C8H13NO4/c1-4-5(6(10)11)9-7(12)13-8(9,2)3/h5H,4H2,1-3H3,(H,10,11)
InChIKeyGIKMDFFIZJQSDH-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.04
Rot. Bonds3

About 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid

2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid (PubChem CID 143232325) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid
PubChem CID143232325
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid
SMILESCCC(C(=O)O)N1C(=O)OC1(C)C
InChIInChI=1S/C8H13NO4/c1-4-5(6(10)11)9-7(12)13-8(9,2)3/h5H,4H2,1-3H3,(H,10,11)
InChIKeyGIKMDFFIZJQSDH-UHFFFAOYSA-N
XLogP1.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid?
The IUPAC name of 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid (CID 143232325) is 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid.
What is the SMILES notation for 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid?
The canonical SMILES for 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid is CCC(C(=O)O)N1C(=O)OC1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid?
The InChIKey is GIKMDFFIZJQSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4-5(6(10)11)9-7(12)13-8(9,2)3/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid?
2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid has a molecular weight of 187.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)butanoic acid is sourced from PubChem (CID 143232325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).