3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid

C11H16O4 — CID 23344510

IUPAC3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC(CC2CCC2)C1
InChIInChI=1S/C11H16O4/c12-9(13)11(10(14)15)5-8(6-11)4-7-2-1-3-7/h7-8H,1-6H2,(H,12,13)(H,14,15)
InChIKeyPLPWXMNRNPSRJE-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.74
Rot. Bonds4

About 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid

3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid (PubChem CID 23344510) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid
PubChem CID23344510
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CC(CC2CCC2)C1
InChIInChI=1S/C11H16O4/c12-9(13)11(10(14)15)5-8(6-11)4-7-2-1-3-7/h7-8H,1-6H2,(H,12,13)(H,14,15)
InChIKeyPLPWXMNRNPSRJE-UHFFFAOYSA-N
XLogP1.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(5-cyclododecylpentyl)cyclobutane-1,1-dicarboxylic acid
CID 23344470
2-[(1R,3R,5R,6S)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129283555
2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129283647
3-aminocyclohexane-1,1-dicarboxylic acid
CID 139939403
bicyclo[3.1.1]heptane-3,3-dicarboxylic acid
CID 71366048
cyclopentadecylmethylcyclopentadecane
CID 91804599
(3R)-3-aminocyclopentane-1,1-dicarboxylic acid
CID 54063246
(2S,4S)-4-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid
CID 10036061
4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
CID 126845693
2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid
CID 81008981
3-[(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]-7-oxabicyclo[4.1.0]heptane-1-carboxylic acid
CID 152636373
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid?
The IUPAC name of 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid (CID 23344510) is 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid?
The canonical SMILES for 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid is O=C(O)C1(C(=O)O)CC(CC2CCC2)C1.
What is the InChIKey of 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid?
The InChIKey is PLPWXMNRNPSRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-9(13)11(10(14)15)5-8(6-11)4-7-2-1-3-7/h7-8H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid?
3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)cyclobutane-1,1-dicarboxylic acid is sourced from PubChem (CID 23344510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).