1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid

C11H19NO2 — CID 115447036

IUPAC1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCCC1CN(CC2(C(=O)O)CCC2)C1
InChIInChI=1S/C11H19NO2/c1-2-9-6-12(7-9)8-11(10(13)14)4-3-5-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyPJIKAHDLVXCLGZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds4

About 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid

1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115447036) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID115447036
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCCC1CN(CC2(C(=O)O)CCC2)C1
InChIInChI=1S/C11H19NO2/c1-2-9-6-12(7-9)8-11(10(13)14)4-3-5-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyPJIKAHDLVXCLGZ-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-propan-2-ylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310916
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115562002
2-[1-[(3-ethylazetidin-1-yl)methyl]cyclohexyl]acetic acid
CID 79695582
1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
CID 83831372
1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310913
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79170953
1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid
CID 115447033
1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 113310914
1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102967450
1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 63622664
1-(2-azaspiro[3.6]decan-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115444857
1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid
CID 115437046

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid (CID 115447036) is 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid is CCC1CN(CC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is PJIKAHDLVXCLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-9-6-12(7-9)8-11(10(13)14)4-3-5-11/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115447036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).