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

C15H25NO2 — CID 116684571

IUPAC2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCCC(C3CC3)C2)C1
InChIInChI=1S/C15H25NO2/c1-10(15(17)18)13-8-16(9-13)14-4-2-3-12(7-14)11-5-6-11/h10-14H,2-9H2,1H3,(H,17,18)
InChIKeyDPHQFVIBMYWOLI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.61
Rot. Bonds4

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

2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid (PubChem CID 116684571) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid
PubChem CID116684571
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCCC(C3CC3)C2)C1
InChIInChI=1S/C15H25NO2/c1-10(15(17)18)13-8-16(9-13)14-4-2-3-12(7-14)11-5-6-11/h10-14H,2-9H2,1H3,(H,17,18)
InChIKeyDPHQFVIBMYWOLI-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3-cyclopropylcyclohexyl)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-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid (CID 116684571) is 2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C2CCCC(C3CC3)C2)C1.
What is the InChIKey of 2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid?
The InChIKey is DPHQFVIBMYWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(15(17)18)13-8-16(9-13)14-4-2-3-12(7-14)11-5-6-11/h10-14H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid?
2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid has a molecular weight of 251.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopropylcyclohexyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).