2-(2-ethyl-6-methylanilino)-2-oxoacetic acid

C11H13NO3 — CID 28710564

IUPAC2-(2-ethyl-6-methylanilino)-2-oxoacetic acid
SMILESCCc1cccc(C)c1NC(=O)C(=O)O
InChIInChI=1S/C11H13NO3/c1-3-8-6-4-5-7(2)9(8)12-10(13)11(14)15/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySAWXESXDACFEPC-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.58
Rot. Bonds2

About 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid

2-(2-ethyl-6-methylanilino)-2-oxoacetic acid (PubChem CID 28710564) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-2-oxoacetic acid
PubChem CID28710564
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2-ethyl-6-methylanilino)-2-oxoacetic acid
SMILESCCc1cccc(C)c1NC(=O)C(=O)O
InChIInChI=1S/C11H13NO3/c1-3-8-6-4-5-7(2)9(8)12-10(13)11(14)15/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySAWXESXDACFEPC-UHFFFAOYSA-N
XLogP1.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.58
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
Disofenin
CID 171682
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
2',6'-Glycoloxylidide
CID 14480057
Technetium tc-99m disofenin
CID 11430828

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid (CID 28710564) is 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid is CCc1cccc(C)c1NC(=O)C(=O)O.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid?
The InChIKey is SAWXESXDACFEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-8-6-4-5-7(2)9(8)12-10(13)11(14)15/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid?
2-(2-ethyl-6-methylanilino)-2-oxoacetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)-2-oxoacetic acid is sourced from PubChem (CID 28710564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).