2-(2,6-dimethylanilino)-2-oxoacetic acid

C10H11NO3 — CID 14987869

IUPAC2-(2,6-dimethylanilino)-2-oxoacetic acid
SMILESCc1cccc(C)c1NC(=O)C(=O)O
InChIInChI=1S/C10H11NO3/c1-6-4-3-5-7(2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyJFTAPSBIODPQJN-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.33
Rot. Bonds1

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

2-(2,6-dimethylanilino)-2-oxoacetic acid (PubChem CID 14987869) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-2-oxoacetic acid
PubChem CID14987869
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(2,6-dimethylanilino)-2-oxoacetic acid
SMILESCc1cccc(C)c1NC(=O)C(=O)O
InChIInChI=1S/C10H11NO3/c1-6-4-3-5-7(2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyJFTAPSBIODPQJN-UHFFFAOYSA-N
XLogP1.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Metolachlor OA
CID 15842092
Lidofenin
CID 42963
N-Acetyl-2,6-xylidine
CID 16616
alachlor OXA
CID 14924483
Ehida
CID 170344
N-(2-Ethyl-6-methylphenyl)-oxalamic acid
CID 28710564
Disofenin
CID 171682
rac-Metalaxyl Carboxylic Acid
CID 13073467
Acetochlor oxanilic acid
CID 15842091
Acetamide, N-(2-ethyl-6-methylphenyl)-2-hydroxy-
CID 178925
N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 10878014
N-(2-Ethyl-6-methylphenyl)-L-alanine
CID 12785745

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-2-oxoacetic acid?
The IUPAC name of 2-(2,6-dimethylanilino)-2-oxoacetic acid (CID 14987869) is 2-(2,6-dimethylanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(2,6-dimethylanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(2,6-dimethylanilino)-2-oxoacetic acid is Cc1cccc(C)c1NC(=O)C(=O)O.
What is the InChIKey of 2-(2,6-dimethylanilino)-2-oxoacetic acid?
The InChIKey is JFTAPSBIODPQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-4-3-5-7(2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(2,6-dimethylanilino)-2-oxoacetic acid?
2-(2,6-dimethylanilino)-2-oxoacetic acid has a molecular weight of 193.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-2-oxoacetic acid is sourced from PubChem (CID 14987869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).