2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid

C11H11Cl2NO4 — CID 43170839

IUPAC2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H11Cl2NO4/c1-6(11(16)17)14-10(15)5-18-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyHHYQKFJDYPJRJF-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.96
Rot. Bonds5

About 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid

2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid (PubChem CID 43170839) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
PubChem CID43170839
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H11Cl2NO4/c1-6(11(16)17)14-10(15)5-18-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyHHYQKFJDYPJRJF-UHFFFAOYSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3,4-dichlorophenoxy)acetyl]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

Related Compounds

3-[[2-(3,4-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43360889
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
methyl 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3-methylbutanoate
CID 43423967
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid
CID 4733202
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
CID 2334250
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid (CID 43170839) is 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid is CC(NC(=O)COc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid?
The InChIKey is HHYQKFJDYPJRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c1-6(11(16)17)14-10(15)5-18-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid?
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid has a molecular weight of 292.12 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 43170839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).