2-(2,6-dimethylanilino)oxyacetic acid

C10H13NO3 — CID 154635877

IUPAC2-(2,6-dimethylanilino)oxyacetic acid
SMILESCc1cccc(C)c1NOCC(=O)O
InChIInChI=1S/C10H13NO3/c1-7-4-3-5-8(2)10(7)11-14-6-9(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyGFIQVVDGKRCHMI-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.73
Rot. Bonds4

About 2-(2,6-dimethylanilino)oxyacetic acid

2-(2,6-dimethylanilino)oxyacetic acid (PubChem CID 154635877) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)oxyacetic acid.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)oxyacetic acid
PubChem CID154635877
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(2,6-dimethylanilino)oxyacetic acid
SMILESCc1cccc(C)c1NOCC(=O)O
InChIInChI=1S/C10H13NO3/c1-7-4-3-5-8(2)10(7)11-14-6-9(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyGFIQVVDGKRCHMI-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,6-dimethylanilino)oxyacetic acid?
The IUPAC name of 2-(2,6-dimethylanilino)oxyacetic acid (CID 154635877) is 2-(2,6-dimethylanilino)oxyacetic acid.
What is the SMILES notation for 2-(2,6-dimethylanilino)oxyacetic acid?
The canonical SMILES for 2-(2,6-dimethylanilino)oxyacetic acid is Cc1cccc(C)c1NOCC(=O)O.
What is the InChIKey of 2-(2,6-dimethylanilino)oxyacetic acid?
The InChIKey is GFIQVVDGKRCHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-4-3-5-8(2)10(7)11-14-6-9(12)13/h3-5,11H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,6-dimethylanilino)oxyacetic acid?
2-(2,6-dimethylanilino)oxyacetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)oxyacetic acid is sourced from PubChem (CID 154635877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).