2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid

C13H23NO3 — CID 106824409

IUPAC2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCOC1CC(NCC2CCCC2C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-2-17-11-6-10(7-11)14-8-9-4-3-5-12(9)13(15)16/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyHTCFTIOJCLXADF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.64
Rot. Bonds6

About 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 106824409) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID106824409
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCOC1CC(NCC2CCCC2C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-2-17-11-6-10(7-11)14-8-9-4-3-5-12(9)13(15)16/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyHTCFTIOJCLXADF-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-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 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 106824409) is 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid is CCOC1CC(NCC2CCCC2C(=O)O)C1.
What is the InChIKey of 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HTCFTIOJCLXADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-11-6-10(7-11)14-8-9-4-3-5-12(9)13(15)16/h9-12,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106824409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).