2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid

C10H10N2O6 — CID 3136478

IUPAC2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid
SMILESO=C(O)CC(NC(=O)c1cncc(O)c1)C(=O)O
InChIInChI=1S/C10H10N2O6/c13-6-1-5(3-11-4-6)9(16)12-7(10(17)18)2-8(14)15/h1,3-4,7,13H,2H2,(H,12,16)(H,14,15)(H,17,18)
InChIKeyXPFQUMLTXVUNGI-UHFFFAOYSA-N
MW254.20 g/mol
LogP-0.56
Rot. Bonds5

About 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid

2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid (PubChem CID 3136478) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid
PubChem CID3136478
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid
SMILESO=C(O)CC(NC(=O)c1cncc(O)c1)C(=O)O
InChIInChI=1S/C10H10N2O6/c13-6-1-5(3-11-4-6)9(16)12-7(10(17)18)2-8(14)15/h1,3-4,7,13H,2H2,(H,12,16)(H,14,15)(H,17,18)
InChIKeyXPFQUMLTXVUNGI-UHFFFAOYSA-N
XLogP-0.56
TPSA136.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid?
The IUPAC name of 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid (CID 3136478) is 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid.
What is the SMILES notation for 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid?
The canonical SMILES for 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid is O=C(O)CC(NC(=O)c1cncc(O)c1)C(=O)O.
What is the InChIKey of 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid?
The InChIKey is XPFQUMLTXVUNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6/c13-6-1-5(3-11-4-6)9(16)12-7(10(17)18)2-8(14)15/h1,3-4,7,13H,2H2,(H,12,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid?
2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid has a molecular weight of 254.20 g/mol, XLogP of -0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 3136478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).