4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid

C10H12N2O5 — CID 24701337

IUPAC4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H12N2O5/c13-7-4-6(5-8(14)12-7)10(17)11-3-1-2-9(15)16/h4-5H,1-3H2,(H,11,17)(H,15,16)(H2,12,13,14)
InChIKeyQBOXRIXOBOUKSW-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.32
Rot. Bonds5

About 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid

4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 24701337) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
PubChem CID24701337
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H12N2O5/c13-7-4-6(5-8(14)12-7)10(17)11-3-1-2-9(15)16/h4-5H,1-3H2,(H,11,17)(H,15,16)(H2,12,13,14)
InChIKeyQBOXRIXOBOUKSW-UHFFFAOYSA-N
XLogP-0.32
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid (CID 24701337) is 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is QBOXRIXOBOUKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-7-4-6(5-8(14)12-7)10(17)11-3-1-2-9(15)16/h4-5H,1-3H2,(H,11,17)(H,15,16)(H2,12,13,14).
What are the key properties of 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 240.21 g/mol, XLogP of -0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 24701337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).