1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid

C11H19NO2 — CID 115447036

IUPAC1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCCC1CN(CC2(C(=O)O)CCC2)C1
InChIInChI=1S/C11H19NO2/c1-2-9-6-12(7-9)8-11(10(13)14)4-3-5-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyPJIKAHDLVXCLGZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds4

About 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid

1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115447036) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID115447036
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCCC1CN(CC2(C(=O)O)CCC2)C1
InChIInChI=1S/C11H19NO2/c1-2-9-6-12(7-9)8-11(10(13)14)4-3-5-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyPJIKAHDLVXCLGZ-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic 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 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid (CID 115447036) is 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid is CCC1CN(CC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is PJIKAHDLVXCLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-9-6-12(7-9)8-11(10(13)14)4-3-5-11/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115447036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).