2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid

C12H17N3O6 — CID 102657627

IUPAC2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid
SMILESCN1CC(=O)N(CC(=O)N2CC(C)(OCC(=O)O)C2)C1=O
InChIInChI=1S/C12H17N3O6/c1-12(21-5-10(18)19)6-14(7-12)8(16)4-15-9(17)3-13(2)11(15)20/h3-7H2,1-2H3,(H,18,19)
InChIKeyWGKHQUITCLMDMZ-UHFFFAOYSA-N
MW299.28 g/mol
LogP-1.42
Rot. Bonds5

About 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102657627) has the molecular formula C12H17N3O6 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid
PubChem CID102657627
Molecular FormulaC12H17N3O6
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Name2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid
SMILESCN1CC(=O)N(CC(=O)N2CC(C)(OCC(=O)O)C2)C1=O
InChIInChI=1S/C12H17N3O6/c1-12(21-5-10(18)19)6-14(7-12)8(16)4-15-9(17)3-13(2)11(15)20/h3-7H2,1-2H3,(H,18,19)
InChIKeyWGKHQUITCLMDMZ-UHFFFAOYSA-N
XLogP-1.42
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic 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-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid (CID 102657627) is 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid is CN1CC(=O)N(CC(=O)N2CC(C)(OCC(=O)O)C2)C1=O.
What is the InChIKey of 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is WGKHQUITCLMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O6/c1-12(21-5-10(18)19)6-14(7-12)8(16)4-15-9(17)3-13(2)11(15)20/h3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 299.28 g/mol, XLogP of -1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).