2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid

C15H29NO2 — CID 79695027

IUPAC2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid
SMILESCCCC1(CCC)CN(C(C)(CCC)C(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-5-8-14(4,13(17)18)16-11-15(12-16,9-6-2)10-7-3/h5-12H2,1-4H3,(H,17,18)
InChIKeyUXVHZVYLHXCECG-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.53
Rot. Bonds8

About 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid

2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid (PubChem CID 79695027) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid
PubChem CID79695027
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid
SMILESCCCC1(CCC)CN(C(C)(CCC)C(=O)O)C1
InChIInChI=1S/C15H29NO2/c1-5-8-14(4,13(17)18)16-11-15(12-16,9-6-2)10-7-3/h5-12H2,1-4H3,(H,17,18)
InChIKeyUXVHZVYLHXCECG-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic 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-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid?
The IUPAC name of 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid (CID 79695027) is 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid is CCCC1(CCC)CN(C(C)(CCC)C(=O)O)C1.
What is the InChIKey of 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid?
The InChIKey is UXVHZVYLHXCECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-8-14(4,13(17)18)16-11-15(12-16,9-6-2)10-7-3/h5-12H2,1-4H3,(H,17,18).
What are the key properties of 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid?
2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid is sourced from PubChem (CID 79695027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).