1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid

C8H7NO6 — CID 122609186

IUPAC1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid
SMILESO=C(O)CN1C(=O)C=C(C(=O)O)CC1=O
InChIInChI=1S/C8H7NO6/c10-5-1-4(8(14)15)2-6(11)9(5)3-7(12)13/h1H,2-3H2,(H,12,13)(H,14,15)
InChIKeyMQHYYLJDWRMKPS-UHFFFAOYSA-N
MW213.14 g/mol
LogP-1.16
Rot. Bonds3

About 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid

1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid (PubChem CID 122609186) has the molecular formula C8H7NO6 and a molecular weight of 213.14 g/mol. Its IUPAC name is 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid
PubChem CID122609186
Molecular FormulaC8H7NO6
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid
SMILESO=C(O)CN1C(=O)C=C(C(=O)O)CC1=O
InChIInChI=1S/C8H7NO6/c10-5-1-4(8(14)15)2-6(11)9(5)3-7(12)13/h1H,2-3H2,(H,12,13)(H,14,15)
InChIKeyMQHYYLJDWRMKPS-UHFFFAOYSA-N
XLogP-1.16
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid?
The IUPAC name of 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid (CID 122609186) is 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid is O=C(O)CN1C(=O)C=C(C(=O)O)CC1=O.
What is the InChIKey of 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid?
The InChIKey is MQHYYLJDWRMKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO6/c10-5-1-4(8(14)15)2-6(11)9(5)3-7(12)13/h1H,2-3H2,(H,12,13)(H,14,15).
What are the key properties of 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid?
1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid has a molecular weight of 213.14 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid is sourced from PubChem (CID 122609186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).