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

C11H19NO3 — CID 116684067

IUPAC2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCCC2O)C1
InChIInChI=1S/C11H19NO3/c1-7(11(14)15)8-5-12(6-8)9-3-2-4-10(9)13/h7-10,13H,2-6H2,1H3,(H,14,15)
InChIKeyNNEVLZIONCEKQJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.55
Rot. Bonds3

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

2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid (PubChem CID 116684067) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
PubChem CID116684067
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCCC2O)C1
InChIInChI=1S/C11H19NO3/c1-7(11(14)15)8-5-12(6-8)9-3-2-4-10(9)13/h7-10,13H,2-6H2,1H3,(H,14,15)
InChIKeyNNEVLZIONCEKQJ-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-hydroxycyclopentyl)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-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid (CID 116684067) is 2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C2CCCC2O)C1.
What is the InChIKey of 2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid?
The InChIKey is NNEVLZIONCEKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(11(14)15)8-5-12(6-8)9-3-2-4-10(9)13/h7-10,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid?
2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).