2-acetamido-3-(2,4-dibromophenyl)propanoic acid

C11H11Br2NO3 — CID 167731368

IUPAC2-acetamido-3-(2,4-dibromophenyl)propanoic acid
SMILESCC(=O)NC(Cc1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C11H11Br2NO3/c1-6(15)14-10(11(16)17)4-7-2-3-8(12)5-9(7)13/h2-3,5,10H,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyZDCBBYUCJSNLAU-UHFFFAOYSA-N
MW365.02 g/mol
LogP2.34
Rot. Bonds4

About 2-acetamido-3-(2,4-dibromophenyl)propanoic acid

2-acetamido-3-(2,4-dibromophenyl)propanoic acid (PubChem CID 167731368) has the molecular formula C11H11Br2NO3 and a molecular weight of 365.02 g/mol. Its IUPAC name is 2-acetamido-3-(2,4-dibromophenyl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2,4-dibromophenyl)propanoic acid
PubChem CID167731368
Molecular FormulaC11H11Br2NO3
Molecular Weight365.02 g/mol
Exact Mass362.91
IUPAC Name2-acetamido-3-(2,4-dibromophenyl)propanoic acid
SMILESCC(=O)NC(Cc1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C11H11Br2NO3/c1-6(15)14-10(11(16)17)4-7-2-3-8(12)5-9(7)13/h2-3,5,10H,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyZDCBBYUCJSNLAU-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.02
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-acetamido-3-(2,4-dibromophenyl)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

Related Compounds

(2R)-2-acetamido-3-[4-(2,5-dibromobenzoyl)phenyl]propanoic acid
CID 10389914
2-acetamido-3-(2-iodophenyl)propanoic acid
CID 90399104
(2S)-2-acetamido-3-(7-bromo-1H-indol-3-yl)propanoic acid
CID 11336314
2-acetamido-3-(4-bromo-5-methylthiophen-2-yl)propanoic acid
CID 102841283
2-acetamido-3-(5-bromo-2-fluoroanilino)propanoic acid
CID 64582664
2-acetamido-3-(5-bromo-6-chloro-1H-indol-3-yl)propanoic acid
CID 166609238
(2R)-2-acetamido-3-[(2-bromo-4-fluorophenyl)methylsulfonyl]propanoic acid
CID 107774865
2-acetamido-3-(4-bromophenyl)sulfonylpropanoic acid
CID 64583509
(2S)-2-acetamido-3-(5-aminothiophen-2-yl)propanoic acid
CID 174428965
3-(5-bromo-1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 119257947
2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620
2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid
CID 22603328

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2,4-dibromophenyl)propanoic acid?
The IUPAC name of 2-acetamido-3-(2,4-dibromophenyl)propanoic acid (CID 167731368) is 2-acetamido-3-(2,4-dibromophenyl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2,4-dibromophenyl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2,4-dibromophenyl)propanoic acid is CC(=O)NC(Cc1ccc(Br)cc1Br)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2,4-dibromophenyl)propanoic acid?
The InChIKey is ZDCBBYUCJSNLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO3/c1-6(15)14-10(11(16)17)4-7-2-3-8(12)5-9(7)13/h2-3,5,10H,4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-3-(2,4-dibromophenyl)propanoic acid?
2-acetamido-3-(2,4-dibromophenyl)propanoic acid has a molecular weight of 365.02 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2,4-dibromophenyl)propanoic acid is sourced from PubChem (CID 167731368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).