2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid

C8H9NO4 — CID 18725094

IUPAC2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid
SMILESCC1=CC(=O)N(CC(=O)O)C(=O)C1
InChIInChI=1S/C8H9NO4/c1-5-2-6(10)9(4-8(12)13)7(11)3-5/h2H,3-4H2,1H3,(H,12,13)
InChIKeyONJSDROVHFGKQN-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.22
Rot. Bonds2

About 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid

2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid (PubChem CID 18725094) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid
PubChem CID18725094
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid
SMILESCC1=CC(=O)N(CC(=O)O)C(=O)C1
InChIInChI=1S/C8H9NO4/c1-5-2-6(10)9(4-8(12)13)7(11)3-5/h2H,3-4H2,1H3,(H,12,13)
InChIKeyONJSDROVHFGKQN-UHFFFAOYSA-N
XLogP-0.22
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid?
The IUPAC name of 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid (CID 18725094) is 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid is CC1=CC(=O)N(CC(=O)O)C(=O)C1.
What is the InChIKey of 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid?
The InChIKey is ONJSDROVHFGKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-5-2-6(10)9(4-8(12)13)7(11)3-5/h2H,3-4H2,1H3,(H,12,13).
What are the key properties of 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid?
2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid has a molecular weight of 183.16 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,6-dioxo-3H-pyridin-1-yl)acetic acid is sourced from PubChem (CID 18725094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).