2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid

C8H12N2O4 — CID 20746989

IUPAC2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid
SMILESCCN1C(=O)CCN(CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-2-10-6(11)3-4-9(8(10)14)5-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyAPKATOZNYVKDII-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.25
Rot. Bonds3

About 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid

2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid (PubChem CID 20746989) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid
PubChem CID20746989
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid
SMILESCCN1C(=O)CCN(CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-2-10-6(11)3-4-9(8(10)14)5-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyAPKATOZNYVKDII-UHFFFAOYSA-N
XLogP-0.25
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid (CID 20746989) is 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid is CCN1C(=O)CCN(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid?
The InChIKey is APKATOZNYVKDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-2-10-6(11)3-4-9(8(10)14)5-7(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid?
2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid has a molecular weight of 200.19 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxo-1,3-diazinan-1-yl)acetic acid is sourced from PubChem (CID 20746989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).