2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid

C11H20N2O4 — CID 102658135

IUPAC2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid
SMILESCNCCCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(17-6-10(15)16)7-13(8-11)9(14)4-3-5-12-2/h12H,3-8H2,1-2H3,(H,15,16)
InChIKeyFIZXTYDKFNMOBV-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds7

About 2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102658135) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid
PubChem CID102658135
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid
SMILESCNCCCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(17-6-10(15)16)7-13(8-11)9(14)4-3-5-12-2/h12H,3-8H2,1-2H3,(H,15,16)
InChIKeyFIZXTYDKFNMOBV-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-methyl-1-[4-(methylamino)butanoyl]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-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid (CID 102658135) is 2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid is CNCCCC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is FIZXTYDKFNMOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(17-6-10(15)16)7-13(8-11)9(14)4-3-5-12-2/h12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[4-(methylamino)butanoyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).