2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid

C11H13NO4 — CID 146678286

IUPAC2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid
SMILESCCc1ccc(O)c(C)c1NC(=O)C(=O)O
InChIInChI=1S/C11H13NO4/c1-3-7-4-5-8(13)6(2)9(7)12-10(14)11(15)16/h4-5,13H,3H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyLOFYUGDHUHIBAM-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.29
Rot. Bonds2

About 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid

2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid (PubChem CID 146678286) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid
PubChem CID146678286
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid
SMILESCCc1ccc(O)c(C)c1NC(=O)C(=O)O
InChIInChI=1S/C11H13NO4/c1-3-7-4-5-8(13)6(2)9(7)12-10(14)11(15)16/h4-5,13H,3H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyLOFYUGDHUHIBAM-UHFFFAOYSA-N
XLogP1.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic 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

3-Hydroxylidocaine
CID 161824
2-(Ethylamino)-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
CID 3015693
Ranolazine metabolite CVT-3389
CID 169501879
methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 76543038
3-Acetylamino-2,6-dimethylphenol
CID 152965
N-(3-Hydroxy-2-(2-propen-1-yl)phenyl)acetamide
CID 825830
Tetrahydroxychinolin
CID 54737652
Oxy-ethyl-acetanilide
CID 67620599
N-(5-hydroxy-2-phenylphenyl)acetamide
CID 86063865
(2S)-3-(3-hydroxy-2,4-dimethylanilino)-2-methyl-3-oxopropanoic acid
CID 129380539
N-(5-hydroxy-2-methylphenyl)acetamide
CID 3018138
N-[3-hydroxy-2,6-bis(trifluoromethyl)phenyl]acetamide
CID 87602981

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid?
The IUPAC name of 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid (CID 146678286) is 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid is CCc1ccc(O)c(C)c1NC(=O)C(=O)O.
What is the InChIKey of 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid?
The InChIKey is LOFYUGDHUHIBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-7-4-5-8(13)6(2)9(7)12-10(14)11(15)16/h4-5,13H,3H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid?
2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid has a molecular weight of 223.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid is sourced from PubChem (CID 146678286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).