3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid

C9H17NO2 — CID 155244341

IUPAC3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC(N(C)C)C1
InChIInChI=1S/C9H17NO2/c1-4-9(8(11)12)5-7(6-9)10(2)3/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyYHACAMAJHLMEIC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds3

About 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid

3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid (PubChem CID 155244341) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid
PubChem CID155244341
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC(N(C)C)C1
InChIInChI=1S/C9H17NO2/c1-4-9(8(11)12)5-7(6-9)10(2)3/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyYHACAMAJHLMEIC-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-1-ethylcyclobutane-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 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid (CID 155244341) is 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid is CCC1(C(=O)O)CC(N(C)C)C1.
What is the InChIKey of 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid?
The InChIKey is YHACAMAJHLMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-9(8(11)12)5-7(6-9)10(2)3/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid?
3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-ethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 155244341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).