5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid

C13H16N2O6 — CID 79271306

IUPAC5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid
SMILESCOCCNCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C13H16N2O6/c1-21-3-2-14-7-11(16)15-10-5-8(12(17)18)4-9(6-10)13(19)20/h4-6,14H,2-3,7H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyVATBNUZKHLIQMZ-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.26
Rot. Bonds8

About 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid

5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid (PubChem CID 79271306) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid
PubChem CID79271306
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid
SMILESCOCCNCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C13H16N2O6/c1-21-3-2-14-7-11(16)15-10-5-8(12(17)18)4-9(6-10)13(19)20/h4-6,14H,2-3,7H2,1H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyVATBNUZKHLIQMZ-UHFFFAOYSA-N
XLogP0.26
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic 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

3,5-dichloro-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 82830565
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586
methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-5-nitrobenzoate
CID 119725247
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid (CID 79271306) is 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid is COCCNCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid?
The InChIKey is VATBNUZKHLIQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-21-3-2-14-7-11(16)15-10-5-8(12(17)18)4-9(6-10)13(19)20/h4-6,14H,2-3,7H2,1H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid?
5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid has a molecular weight of 296.28 g/mol, XLogP of 0.26, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 79271306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).