2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid

C11H19NO4 — CID 103019292

IUPAC2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid
SMILESCOC(C)(C)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-7(9(13)14)8-5-12(6-8)10(15)11(2,3)16-4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyVMKQSDCWVMAZLN-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.59
Rot. Bonds4

About 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid

2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid (PubChem CID 103019292) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid
PubChem CID103019292
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid
SMILESCOC(C)(C)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-7(9(13)14)8-5-12(6-8)10(15)11(2,3)16-4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyVMKQSDCWVMAZLN-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid (CID 103019292) is 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid is COC(C)(C)C(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid?
The InChIKey is VMKQSDCWVMAZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(9(13)14)8-5-12(6-8)10(15)11(2,3)16-4/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid?
2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 103019292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).