3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid

C12H20N2O3 — CID 90424931

IUPAC3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
SMILESO=C1NCC1N(CCCC1CCCC1)C(=O)O
InChIInChI=1S/C12H20N2O3/c15-11-10(8-13-11)14(12(16)17)7-3-6-9-4-1-2-5-9/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyAYWFAJQFPIEVFZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.44
Rot. Bonds5

About 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid

3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid (PubChem CID 90424931) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid.

Molecular Properties

Compound Name3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
PubChem CID90424931
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
SMILESO=C1NCC1N(CCCC1CCCC1)C(=O)O
InChIInChI=1S/C12H20N2O3/c15-11-10(8-13-11)14(12(16)17)7-3-6-9-4-1-2-5-9/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyAYWFAJQFPIEVFZ-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic 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 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
The IUPAC name of 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid (CID 90424931) is 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid.
What is the SMILES notation for 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
The canonical SMILES for 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid is O=C1NCC1N(CCCC1CCCC1)C(=O)O.
What is the InChIKey of 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
The InChIKey is AYWFAJQFPIEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11-10(8-13-11)14(12(16)17)7-3-6-9-4-1-2-5-9/h9-10H,1-8H2,(H,13,15)(H,16,17).
What are the key properties of 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid?
3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid has a molecular weight of 240.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid is sourced from PubChem (CID 90424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).