2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid

C8H9N3O7 — CID 158815151

IUPAC2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid
SMILESCOc1nc(OCC(=O)O)nc(OCC(=O)O)n1
InChIInChI=1S/C8H9N3O7/c1-16-6-9-7(17-2-4(12)13)11-8(10-6)18-3-5(14)15/h2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyIVEFESVANJNEMK-UHFFFAOYSA-N
MW259.17 g/mol
LogP-1.19
Rot. Bonds7

About 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid

2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid (PubChem CID 158815151) has the molecular formula C8H9N3O7 and a molecular weight of 259.17 g/mol. Its IUPAC name is 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid
PubChem CID158815151
Molecular FormulaC8H9N3O7
Molecular Weight259.17 g/mol
Exact Mass259.04
IUPAC Name2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid
SMILESCOc1nc(OCC(=O)O)nc(OCC(=O)O)n1
InChIInChI=1S/C8H9N3O7/c1-16-6-9-7(17-2-4(12)13)11-8(10-6)18-3-5(14)15/h2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyIVEFESVANJNEMK-UHFFFAOYSA-N
XLogP-1.19
TPSA140.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid with MolForge

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Related Compounds

2-[(4,6-Dichloro-1,3,5-triazin-2-yl)oxy]acetic acid
CID 14512346
2-[[4,6-Bis(1-carboxyethoxy)-1,3,5-triazin-2-yl]oxy]propanoic acid
CID 59772069
2-[(4-Amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid
CID 67900886
Methoxymethane;methyl 2-hydroxyacetate;1,3,5-triazine-2,4,6-triamine
CID 70520922
2-Hydroxyacetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 70523701
2-Methoxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 70523702
Methyl 2-[[4,6-bis(2-methoxy-2-oxoethoxy)-1,3,5-triazin-2-yl]oxy]acetate
CID 168105148
2-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid
CID 12641791
2-O-[4,6-bis[(2-ethoxy-2-oxoacetyl)oxy]-1,3,5-triazin-2-yl] 1-O-ethyl oxalate
CID 16663500
[4,6-Bis[(2-methoxyacetyl)oxy]-1,3,5-triazin-2-yl] 2-methoxyacetate
CID 16663501
2-[(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid
CID 114335242
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy]acetic acid
CID 114335264

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid (CID 158815151) is 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid is COc1nc(OCC(=O)O)nc(OCC(=O)O)n1.
What is the InChIKey of 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid?
The InChIKey is IVEFESVANJNEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O7/c1-16-6-9-7(17-2-4(12)13)11-8(10-6)18-3-5(14)15/h2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid?
2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid has a molecular weight of 259.17 g/mol, XLogP of -1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid is sourced from PubChem (CID 158815151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).