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

C7H10N4O4 — CID 67900886

IUPAC2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid
SMILESCOc1nc(N)nc(OC(C)C(=O)O)n1
InChIInChI=1S/C7H10N4O4/c1-3(4(12)13)15-7-10-5(8)9-6(11-7)14-2/h3H,1-2H3,(H,12,13)(H2,8,9,10,11)
InChIKeyGCDHVJUVOLAIBL-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.69
Rot. Bonds4

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

2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid (PubChem CID 67900886) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid.

Molecular Properties

Compound Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid
PubChem CID67900886
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid
SMILESCOc1nc(N)nc(OC(C)C(=O)O)n1
InChIInChI=1S/C7H10N4O4/c1-3(4(12)13)15-7-10-5(8)9-6(11-7)14-2/h3H,1-2H3,(H,12,13)(H2,8,9,10,11)
InChIKeyGCDHVJUVOLAIBL-UHFFFAOYSA-N
XLogP-0.69
TPSA120.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4,6-Bis(1-carboxyethoxy)-1,3,5-triazin-2-yl]oxy]propanoic acid
CID 59772069
2-Methoxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 70523702
2-Hydroxypropanoic acid;1,3,5-triazine-2,4,6-triamine
CID 157803527
2-[[4-(Carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid
CID 158815151
2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]propanoic acid
CID 22294705
2-[[4-(Dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid
CID 22295101
2-[[4-Methoxy-6-(sulfonylcarbamoylamino)-1,3,5-triazin-2-yl]oxy]propanoic acid
CID 88511236
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-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid?
The IUPAC name of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid (CID 67900886) is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid.
What is the SMILES notation for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid?
The canonical SMILES for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid is COc1nc(N)nc(OC(C)C(=O)O)n1.
What is the InChIKey of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid?
The InChIKey is GCDHVJUVOLAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-3(4(12)13)15-7-10-5(8)9-6(11-7)14-2/h3H,1-2H3,(H,12,13)(H2,8,9,10,11).
What are the key properties of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid?
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid has a molecular weight of 214.18 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid is sourced from PubChem (CID 67900886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).