1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid

C13H23NO2 — CID 167457247

IUPAC1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid
SMILESCC(C)C1CN(CCC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H23NO2/c1-10(2)11-8-14(9-11)7-6-13(12(15)16)4-3-5-13/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyFRULEBXZCNNKSU-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid

1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid (PubChem CID 167457247) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid
PubChem CID167457247
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid
SMILESCC(C)C1CN(CCC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H23NO2/c1-10(2)11-8-14(9-11)7-6-13(12(15)16)4-3-5-13/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyFRULEBXZCNNKSU-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid (CID 167457247) is 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid is CC(C)C1CN(CCC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is FRULEBXZCNNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)11-8-14(9-11)7-6-13(12(15)16)4-3-5-13/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid?
1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-ylazetidin-1-yl)ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 167457247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).