3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid

C13H16BrNO2 — CID 167750749

IUPAC3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid
SMILESO=C(O)CCNC1(c2ccccc2Br)CCC1
InChIInChI=1S/C13H16BrNO2/c14-11-5-2-1-4-10(11)13(7-3-8-13)15-9-6-12(16)17/h1-2,4-5,15H,3,6-9H2,(H,16,17)
InChIKeyIUSKAJGZNRQVCF-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.89
Rot. Bonds5

About 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid

3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid (PubChem CID 167750749) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid
PubChem CID167750749
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid
SMILESO=C(O)CCNC1(c2ccccc2Br)CCC1
InChIInChI=1S/C13H16BrNO2/c14-11-5-2-1-4-10(11)13(7-3-8-13)15-9-6-12(16)17/h1-2,4-5,15H,3,6-9H2,(H,16,17)
InChIKeyIUSKAJGZNRQVCF-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic 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-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid?
The IUPAC name of 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid (CID 167750749) is 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid is O=C(O)CCNC1(c2ccccc2Br)CCC1.
What is the InChIKey of 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid?
The InChIKey is IUSKAJGZNRQVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-11-5-2-1-4-10(11)13(7-3-8-13)15-9-6-12(16)17/h1-2,4-5,15H,3,6-9H2,(H,16,17).
What are the key properties of 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid?
3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid has a molecular weight of 298.18 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-bromophenyl)cyclobutyl]amino]propanoic acid is sourced from PubChem (CID 167750749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).