1-(2-bromoanilino)cyclobutane-1-carboxylic acid

C11H12BrNO2 — CID 62389463

IUPAC1-(2-bromoanilino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Br)CCC1
InChIInChI=1S/C11H12BrNO2/c12-8-4-1-2-5-9(8)13-11(10(14)15)6-3-7-11/h1-2,4-5,13H,3,6-7H2,(H,14,15)
InChIKeyISKUURFKRMMMIN-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-bromoanilino)cyclobutane-1-carboxylic acid

1-(2-bromoanilino)cyclobutane-1-carboxylic acid (PubChem CID 62389463) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(2-bromoanilino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromoanilino)cyclobutane-1-carboxylic acid
PubChem CID62389463
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(2-bromoanilino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Br)CCC1
InChIInChI=1S/C11H12BrNO2/c12-8-4-1-2-5-9(8)13-11(10(14)15)6-3-7-11/h1-2,4-5,13H,3,6-7H2,(H,14,15)
InChIKeyISKUURFKRMMMIN-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid
CID 60993681
4-(2-bromoanilino)-1-ethylazepane-4-carboxylic acid
CID 65075905
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882
ethyl 1-(2-bromoanilino)cyclobutane-1-carboxylate
CID 62389465
1-(3-bromo-2-cyanoanilino)cyclopropane-1-carboxylic acid
CID 114880227
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
CID 61292362
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 107429284
1-(2-ethylsulfonylanilino)cyclobutane-1-carboxylic acid
CID 81164243

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoanilino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-bromoanilino)cyclobutane-1-carboxylic acid (CID 62389463) is 1-(2-bromoanilino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-bromoanilino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-bromoanilino)cyclobutane-1-carboxylic acid is O=C(O)C1(Nc2ccccc2Br)CCC1.
What is the InChIKey of 1-(2-bromoanilino)cyclobutane-1-carboxylic acid?
The InChIKey is ISKUURFKRMMMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-8-4-1-2-5-9(8)13-11(10(14)15)6-3-7-11/h1-2,4-5,13H,3,6-7H2,(H,14,15).
What are the key properties of 1-(2-bromoanilino)cyclobutane-1-carboxylic acid?
1-(2-bromoanilino)cyclobutane-1-carboxylic acid has a molecular weight of 270.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoanilino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62389463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).