2-methyl-2-(3-propylazetidin-1-yl)butanoic acid

C11H21NO2 — CID 79801474

IUPAC2-methyl-2-(3-propylazetidin-1-yl)butanoic acid
SMILESCCCC1CN(C(C)(CC)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-4-6-9-7-12(8-9)11(3,5-2)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyJYOOLBJEHAIKHB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-2-(3-propylazetidin-1-yl)butanoic acid

2-methyl-2-(3-propylazetidin-1-yl)butanoic acid (PubChem CID 79801474) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-2-(3-propylazetidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-propylazetidin-1-yl)butanoic acid
PubChem CID79801474
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-2-(3-propylazetidin-1-yl)butanoic acid
SMILESCCCC1CN(C(C)(CC)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-4-6-9-7-12(8-9)11(3,5-2)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyJYOOLBJEHAIKHB-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(3-propylazetidin-1-yl)butanoic 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-methyl-2-(3-propylazetidin-1-yl)butanoic acid?
The IUPAC name of 2-methyl-2-(3-propylazetidin-1-yl)butanoic acid (CID 79801474) is 2-methyl-2-(3-propylazetidin-1-yl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(3-propylazetidin-1-yl)butanoic acid?
The canonical SMILES for 2-methyl-2-(3-propylazetidin-1-yl)butanoic acid is CCCC1CN(C(C)(CC)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-(3-propylazetidin-1-yl)butanoic acid?
The InChIKey is JYOOLBJEHAIKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-9-7-12(8-9)11(3,5-2)10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-(3-propylazetidin-1-yl)butanoic acid?
2-methyl-2-(3-propylazetidin-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-propylazetidin-1-yl)butanoic acid is sourced from PubChem (CID 79801474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).