2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid

C10H9Cl2NO5 — CID 14097342

IUPAC2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NOCC(=O)O
InChIInChI=1S/C10H9Cl2NO5/c1-17-9-6(12)3-2-5(11)8(9)10(16)13-18-4-7(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyPAIUYEIIFKYSCC-UHFFFAOYSA-N
MW294.09 g/mol
LogP1.75
Rot. Bonds5

About 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid

2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid (PubChem CID 14097342) has the molecular formula C10H9Cl2NO5 and a molecular weight of 294.09 g/mol. Its IUPAC name is 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
PubChem CID14097342
Molecular FormulaC10H9Cl2NO5
Molecular Weight294.09 g/mol
Exact Mass292.99
IUPAC Name2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NOCC(=O)O
InChIInChI=1S/C10H9Cl2NO5/c1-17-9-6(12)3-2-5(11)8(9)10(16)13-18-4-7(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyPAIUYEIIFKYSCC-UHFFFAOYSA-N
XLogP1.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic 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

[di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate
CID 88519708
2-[(3,5-dichloro-4-methoxybenzoyl)amino]oxyacetic acid
CID 63912530
2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid
CID 86120715
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
CID 2788458
3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 110287800
2-(2-aminoethylamino)ethanol;3,6-dichloro-2-methoxybenzoic acid
CID 51030995
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid
CID 88619765
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108574475
2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
CID 169177858

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid (CID 14097342) is 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid is COc1c(Cl)ccc(Cl)c1C(=O)NOCC(=O)O.
What is the InChIKey of 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid?
The InChIKey is PAIUYEIIFKYSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO5/c1-17-9-6(12)3-2-5(11)8(9)10(16)13-18-4-7(14)15/h2-3H,4H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid?
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid has a molecular weight of 294.09 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 14097342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).