2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid

C11H13NO5 — CID 115141187

IUPAC2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid
SMILESCOc1cc(C)c(NC(=O)C(=O)O)c(OC)c1
InChIInChI=1S/C11H13NO5/c1-6-4-7(16-2)5-8(17-3)9(6)12-10(13)11(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyHJNJAILDAZBUFB-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.04
Rot. Bonds3

About 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid

2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid (PubChem CID 115141187) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid
PubChem CID115141187
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid
SMILESCOc1cc(C)c(NC(=O)C(=O)O)c(OC)c1
InChIInChI=1S/C11H13NO5/c1-6-4-7(16-2)5-8(17-3)9(6)12-10(13)11(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyHJNJAILDAZBUFB-UHFFFAOYSA-N
XLogP1.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
CID 82499633
2-amino-3-(2,4-dimethoxy-6-methylanilino)-3-oxopropanoic acid
CID 115179144
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
N'-(4-methoxy-2,6-dimethylphenyl)oxamide
CID 22638433
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-(5-chloro-4-methoxy-2-methylanilino)-2-oxoacetic acid
CID 82497514
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid?
The IUPAC name of 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid (CID 115141187) is 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid is COc1cc(C)c(NC(=O)C(=O)O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid?
The InChIKey is HJNJAILDAZBUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-6-4-7(16-2)5-8(17-3)9(6)12-10(13)11(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid?
2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid has a molecular weight of 239.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid is sourced from PubChem (CID 115141187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).