3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid

C11H12BrNO2 — CID 115050323

IUPAC3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid
SMILESNC1CC(C(=O)O)(c2ccccc2Br)C1
InChIInChI=1S/C11H12BrNO2/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(13)6-11/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeySAZRHHDPHZIELT-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.89
Rot. Bonds2

About 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid

3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid (PubChem CID 115050323) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid
PubChem CID115050323
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid
SMILESNC1CC(C(=O)O)(c2ccccc2Br)C1
InChIInChI=1S/C11H12BrNO2/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(13)6-11/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeySAZRHHDPHZIELT-UHFFFAOYSA-N
XLogP1.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid (CID 115050323) is 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid is NC1CC(C(=O)O)(c2ccccc2Br)C1.
What is the InChIKey of 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is SAZRHHDPHZIELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(13)6-11/h1-4,7H,5-6,13H2,(H,14,15).
What are the key properties of 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid?
3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid has a molecular weight of 270.13 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115050323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).