2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid

C11H13NO6 — CID 82499633

IUPAC2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
SMILESCOc1cc(OC)c(NC(=O)C(=O)O)c(OC)c1
InChIInChI=1S/C11H13NO6/c1-16-6-4-7(17-2)9(8(5-6)18-3)12-10(13)11(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyULIIZWBLYZFUNB-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.74
Rot. Bonds4

About 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid

2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid (PubChem CID 82499633) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
PubChem CID82499633
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
SMILESCOc1cc(OC)c(NC(=O)C(=O)O)c(OC)c1
InChIInChI=1S/C11H13NO6/c1-16-6-4-7(17-2)9(8(5-6)18-3)12-10(13)11(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyULIIZWBLYZFUNB-UHFFFAOYSA-N
XLogP0.74
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxy-6-methylanilino)-2-oxoacetic acid
CID 115141187
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
[2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid
CID 19764431
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
1-(2,4,6-trimethoxyanilino)propan-2-one
CID 115234477
2-amino-3-(2,4-dimethoxy-6-methylanilino)-3-oxopropanoic acid
CID 115179144
N-(2-chloro-4,6-dimethoxyphenyl)propanamide
CID 38114192
1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea
CID 10851307
3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 110778529

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid?
The IUPAC name of 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid (CID 82499633) is 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid.
What is the SMILES notation for 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid?
The canonical SMILES for 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid is COc1cc(OC)c(NC(=O)C(=O)O)c(OC)c1.
What is the InChIKey of 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid?
The InChIKey is ULIIZWBLYZFUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c1-16-6-4-7(17-2)9(8(5-6)18-3)12-10(13)11(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid?
2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid has a molecular weight of 255.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid is sourced from PubChem (CID 82499633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).