2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid

C11H12N2O6 — CID 54926831

IUPAC2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C11H12N2O6/c14-8(15)4-3-7(11(18)19)13-10(17)6-2-1-5-12-9(6)16/h1-2,5,7H,3-4H2,(H,12,16)(H,13,17)(H,14,15)(H,18,19)
InChIKeyXOMINHVUQHAHQZ-UHFFFAOYSA-N
MW268.22 g/mol
LogP-0.58
Rot. Bonds6

About 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid

2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid (PubChem CID 54926831) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid
PubChem CID54926831
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C11H12N2O6/c14-8(15)4-3-7(11(18)19)13-10(17)6-2-1-5-12-9(6)16/h1-2,5,7H,3-4H2,(H,12,16)(H,13,17)(H,14,15)(H,18,19)
InChIKeyXOMINHVUQHAHQZ-UHFFFAOYSA-N
XLogP-0.58
TPSA136.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid?
The IUPAC name of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid (CID 54926831) is 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid is O=C(O)CCC(NC(=O)c1ccc[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid?
The InChIKey is XOMINHVUQHAHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c14-8(15)4-3-7(11(18)19)13-10(17)6-2-1-5-12-9(6)16/h1-2,5,7H,3-4H2,(H,12,16)(H,13,17)(H,14,15)(H,18,19).
What are the key properties of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid?
2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid has a molecular weight of 268.22 g/mol, XLogP of -0.58, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 54926831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).