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

C10H9Cl2NO5 — CID 60668024

IUPAC2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO5/c11-6-1-2-8(7(12)3-6)17-4-9(14)13-18-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyOJMSUTXGUYEPKH-UHFFFAOYSA-N
MW294.09 g/mol
LogP1.50
Rot. Bonds6

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

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid (PubChem CID 60668024) has the molecular formula C10H9Cl2NO5 and a molecular weight of 294.09 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
PubChem CID60668024
Molecular FormulaC10H9Cl2NO5
Molecular Weight294.09 g/mol
Exact Mass292.99
IUPAC Name2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO5/c11-6-1-2-8(7(12)3-6)17-4-9(14)13-18-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyOJMSUTXGUYEPKH-UHFFFAOYSA-N
XLogP1.50
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668138
2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide
CID 170771177
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N-cyclopentyloxy-2-(2,4-dichlorophenoxy)acetamide
CID 83202778
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
CID 134122788

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid (CID 60668024) is 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid is O=C(O)CONC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid?
The InChIKey is OJMSUTXGUYEPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO5/c11-6-1-2-8(7(12)3-6)17-4-9(14)13-18-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid?
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid has a molecular weight of 294.09 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid is sourced from PubChem (CID 60668024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).