2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid

C7H9N3O5 — CID 23083495

IUPAC2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid
SMILESCn1c(=O)n(C)c(=O)n(CC(=O)O)c1=O
InChIInChI=1S/C7H9N3O5/c1-8-5(13)9(2)7(15)10(6(8)14)3-4(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyFNVNHSPIXMTUGV-UHFFFAOYSA-N
MW215.16 g/mol
LogP-2.67
Rot. Bonds2

About 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid

2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid (PubChem CID 23083495) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid
PubChem CID23083495
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid
SMILESCn1c(=O)n(C)c(=O)n(CC(=O)O)c1=O
InChIInChI=1S/C7H9N3O5/c1-8-5(13)9(2)7(15)10(6(8)14)3-4(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyFNVNHSPIXMTUGV-UHFFFAOYSA-N
XLogP-2.67
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-2.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid
CID 100562
2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triacetic acid
CID 12558383
[Carboxy-(dicarboxyamino)methyl]-trimethylazanium
CID 17890451
2-(2,4,6-Trioxo-1,3,5-triazinan-1-yl)acetic acid
CID 20493986
2-[Carboxymethyl(dimethylcarbamoyl)amino]acetic acid
CID 20740821
2-[[Carboxymethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 20740822
2-[[Ethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 43263682
1,3,5-Triazinane-1,2,3,4,5,6-hexacarboxylic acid
CID 53647712
2-[3,5-Bis(1-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
CID 57263006
(3-Methyl-2-oxotetrahydropyrimidin-1(2H)-yl)acetic acid
CID 57907519
2-[3-(Carboxymethyl)-5-methyl-1,3,5-triazinan-1-yl]acetic acid
CID 58730169
2-(3,5-Diethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid
CID 59104679

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid (CID 23083495) is 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid is Cn1c(=O)n(C)c(=O)n(CC(=O)O)c1=O.
What is the InChIKey of 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid?
The InChIKey is FNVNHSPIXMTUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c1-8-5(13)9(2)7(15)10(6(8)14)3-4(11)12/h3H2,1-2H3,(H,11,12).
What are the key properties of 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid?
2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid has a molecular weight of 215.16 g/mol, XLogP of -2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)acetic acid is sourced from PubChem (CID 23083495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).