2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid

C16H14Cl2N2O5 — CID 88619765

IUPAC2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NOC(Cc1ccccn1)C(=O)O
InChIInChI=1S/C16H14Cl2N2O5/c1-24-14-11(18)6-5-10(17)13(14)15(21)20-25-12(16(22)23)8-9-4-2-3-7-19-9/h2-7,12H,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyLLNMUCRYYHDEIM-UHFFFAOYSA-N
MW385.20 g/mol
LogP2.75
Rot. Bonds7

About 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid

2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid (PubChem CID 88619765) has the molecular formula C16H14Cl2N2O5 and a molecular weight of 385.20 g/mol. Its IUPAC name is 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid
PubChem CID88619765
Molecular FormulaC16H14Cl2N2O5
Molecular Weight385.20 g/mol
Exact Mass384.03
IUPAC Name2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NOC(Cc1ccccn1)C(=O)O
InChIInChI=1S/C16H14Cl2N2O5/c1-24-14-11(18)6-5-10(17)13(14)15(21)20-25-12(16(22)23)8-9-4-2-3-7-19-9/h2-7,12H,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyLLNMUCRYYHDEIM-UHFFFAOYSA-N
XLogP2.75
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid (CID 88619765) is 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid is COc1c(Cl)ccc(Cl)c1C(=O)NOC(Cc1ccccn1)C(=O)O.
What is the InChIKey of 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid?
The InChIKey is LLNMUCRYYHDEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O5/c1-24-14-11(18)6-5-10(17)13(14)15(21)20-25-12(16(22)23)8-9-4-2-3-7-19-9/h2-7,12H,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid?
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid has a molecular weight of 385.20 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 88619765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).