3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 154845873

IUPAC3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride
SMILESCN(C)CC1CC(C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-9(2)5-6-3-7(4-6)8(10)11;/h6-7H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyZSMGNXBUIGWBEP-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.08
Rot. Bonds3

About 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride

3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 154845873) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride
PubChem CID154845873
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride
SMILESCN(C)CC1CC(C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-9(2)5-6-3-7(4-6)8(10)11;/h6-7H,3-5H2,1-2H3,(H,10,11);1H
InChIKeyZSMGNXBUIGWBEP-UHFFFAOYSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride 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-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride (CID 154845873) is 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride is CN(C)CC1CC(C(=O)O)C1.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is ZSMGNXBUIGWBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-9(2)5-6-3-7(4-6)8(10)11;/h6-7H,3-5H2,1-2H3,(H,10,11);1H.
What are the key properties of 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride?
3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]cyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 154845873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).