4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid

C10H12N2O5 — CID 61243452

IUPAC4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ncccc1O
InChIInChI=1S/C10H12N2O5/c13-5-3-6(10(16)17)12-9(15)8-7(14)2-1-4-11-8/h1-2,4,6,13-14H,3,5H2,(H,12,15)(H,16,17)
InChIKeyVFPBWHZXPKNZJF-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.65
Rot. Bonds5

About 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid

4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid (PubChem CID 61243452) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
PubChem CID61243452
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ncccc1O
InChIInChI=1S/C10H12N2O5/c13-5-3-6(10(16)17)12-9(15)8-7(14)2-1-4-11-8/h1-2,4,6,13-14H,3,5H2,(H,12,15)(H,16,17)
InChIKeyVFPBWHZXPKNZJF-UHFFFAOYSA-N
XLogP-0.65
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63303459
3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 112734988
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934
3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]hexanedioic acid
CID 107835532
(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 107833697

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid (CID 61243452) is 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid is O=C(NC(CCO)C(=O)O)c1ncccc1O.
What is the InChIKey of 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is VFPBWHZXPKNZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-5-3-6(10(16)17)12-9(15)8-7(14)2-1-4-11-8/h1-2,4,6,13-14H,3,5H2,(H,12,15)(H,16,17).
What are the key properties of 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid?
4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 240.21 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61243452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).