5-(azetidin-1-yl)-5-oxopentanoic acid

C8H13NO3 — CID 165368431

IUPAC5-(azetidin-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC1
InChIInChI=1S/C8H13NO3/c10-7(9-5-2-6-9)3-1-4-8(11)12/h1-6H2,(H,11,12)
InChIKeyGRFVCICNWKCUFO-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds4

About 5-(azetidin-1-yl)-5-oxopentanoic acid

5-(azetidin-1-yl)-5-oxopentanoic acid (PubChem CID 165368431) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(azetidin-1-yl)-5-oxopentanoic acid
PubChem CID165368431
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5-(azetidin-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC1
InChIInChI=1S/C8H13NO3/c10-7(9-5-2-6-9)3-1-4-8(11)12/h1-6H2,(H,11,12)
InChIKeyGRFVCICNWKCUFO-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(azetidin-1-yl)-5-oxopentanoic 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 5-(azetidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(azetidin-1-yl)-5-oxopentanoic acid (CID 165368431) is 5-(azetidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(azetidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(azetidin-1-yl)-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCC1.
What is the InChIKey of 5-(azetidin-1-yl)-5-oxopentanoic acid?
The InChIKey is GRFVCICNWKCUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(9-5-2-6-9)3-1-4-8(11)12/h1-6H2,(H,11,12).
What are the key properties of 5-(azetidin-1-yl)-5-oxopentanoic acid?
5-(azetidin-1-yl)-5-oxopentanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 165368431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).