2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid

C11H11Br2NO2 — CID 107601036

IUPAC2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Nc1c(Br)cccc1Br
InChIInChI=1S/C11H11Br2NO2/c12-7-2-1-3-8(13)10(7)14-9-5-4-6(9)11(15)16/h1-3,6,9,14H,4-5H2,(H,15,16)
InChIKeyFYRXKRYCWHXEIM-UHFFFAOYSA-N
MW349.02 g/mol
LogP3.49
Rot. Bonds3

About 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid

2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid (PubChem CID 107601036) has the molecular formula C11H11Br2NO2 and a molecular weight of 349.02 g/mol. Its IUPAC name is 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid
PubChem CID107601036
Molecular FormulaC11H11Br2NO2
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC Name2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Nc1c(Br)cccc1Br
InChIInChI=1S/C11H11Br2NO2/c12-7-2-1-3-8(13)10(7)14-9-5-4-6(9)11(15)16/h1-3,6,9,14H,4-5H2,(H,15,16)
InChIKeyFYRXKRYCWHXEIM-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid (CID 107601036) is 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1Nc1c(Br)cccc1Br.
What is the InChIKey of 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid?
The InChIKey is FYRXKRYCWHXEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO2/c12-7-2-1-3-8(13)10(7)14-9-5-4-6(9)11(15)16/h1-3,6,9,14H,4-5H2,(H,15,16).
What are the key properties of 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid?
2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid has a molecular weight of 349.02 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 107601036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).