2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid

C13H23NO2 — CID 114594006

IUPAC2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid
SMILESCC1CC(C)C(C)N(C2CCC2C(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-8-6-9(2)10(3)14(7-8)12-5-4-11(12)13(15)16/h8-12H,4-7H2,1-3H3,(H,15,16)
InChIKeyAAUWNPZNBXBHTE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.22
Rot. Bonds2

About 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid

2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 114594006) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID114594006
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid
SMILESCC1CC(C)C(C)N(C2CCC2C(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-8-6-9(2)10(3)14(7-8)12-5-4-11(12)13(15)16/h8-12H,4-7H2,1-3H3,(H,15,16)
InChIKeyAAUWNPZNBXBHTE-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid (CID 114594006) is 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid is CC1CC(C)C(C)N(C2CCC2C(=O)O)C1.
What is the InChIKey of 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is AAUWNPZNBXBHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-8-6-9(2)10(3)14(7-8)12-5-4-11(12)13(15)16/h8-12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid?
2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114594006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).