2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid

C10H11BrClNO3 — CID 64667093

IUPAC2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid
SMILESCCC(Oc1c(N)cc(Cl)cc1Br)C(=O)O
InChIInChI=1S/C10H11BrClNO3/c1-2-8(10(14)15)16-9-6(11)3-5(12)4-7(9)13/h3-4,8H,2,13H2,1H3,(H,14,15)
InChIKeyJYTOFIJQOLJELD-UHFFFAOYSA-N
MW308.56 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid

2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid (PubChem CID 64667093) has the molecular formula C10H11BrClNO3 and a molecular weight of 308.56 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid.

Molecular Properties

Compound Name2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid
PubChem CID64667093
Molecular FormulaC10H11BrClNO3
Molecular Weight308.56 g/mol
Exact Mass306.96
IUPAC Name2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid
SMILESCCC(Oc1c(N)cc(Cl)cc1Br)C(=O)O
InChIInChI=1S/C10H11BrClNO3/c1-2-8(10(14)15)16-9-6(11)3-5(12)4-7(9)13/h3-4,8H,2,13H2,1H3,(H,14,15)
InChIKeyJYTOFIJQOLJELD-UHFFFAOYSA-N
XLogP2.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic 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

2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]butanoic acid
CID 64667110
2-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylacetamide
CID 43379208
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]butanoic acid
CID 113438827
2-(2-bromo-4-formyl-6-methoxyphenoxy)butanoic acid
CID 64661147
2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
CID 43379167
3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide
CID 54879248
2-(4-bromo-2,3-dimethylphenoxy)butanoic acid
CID 69202867
2-(4-bromo-3-methylphenoxy)butanoic acid
CID 54792675
2-[2-[(E)-2-carboxyethenyl]-4-chloro-6-methoxyphenoxy]butanoic acid
CID 104666587
2-(2-amino-6-bromo-4-chlorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488077
2-[4-(2-aminobutyl)-2,6-dibromophenoxy]pentanoic acid
CID 107739980
(2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 40579734

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid?
The IUPAC name of 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid (CID 64667093) is 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid.
What is the SMILES notation for 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid?
The canonical SMILES for 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid is CCC(Oc1c(N)cc(Cl)cc1Br)C(=O)O.
What is the InChIKey of 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid?
The InChIKey is JYTOFIJQOLJELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO3/c1-2-8(10(14)15)16-9-6(11)3-5(12)4-7(9)13/h3-4,8H,2,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid?
2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid has a molecular weight of 308.56 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-4-chlorophenoxy)butanoic acid is sourced from PubChem (CID 64667093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).