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

C9H10N2O5 — CID 2893375

IUPAC3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cncc(O)c1
InChIInChI=1S/C9H10N2O5/c12-4-7(9(15)16)11-8(14)5-1-6(13)3-10-2-5/h1-3,7,12-13H,4H2,(H,11,14)(H,15,16)
InChIKeyNKUUBZSAYZZZBH-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.04
Rot. Bonds4

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

3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid (PubChem CID 2893375) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
PubChem CID2893375
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cncc(O)c1
InChIInChI=1S/C9H10N2O5/c12-4-7(9(15)16)11-8(14)5-1-6(13)3-10-2-5/h1-3,7,12-13H,4H2,(H,11,14)(H,15,16)
InChIKeyNKUUBZSAYZZZBH-UHFFFAOYSA-N
XLogP-1.04
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid (CID 2893375) is 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid is O=C(NC(CO)C(=O)O)c1cncc(O)c1.
What is the InChIKey of 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is NKUUBZSAYZZZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-4-7(9(15)16)11-8(14)5-1-6(13)3-10-2-5/h1-3,7,12-13H,4H2,(H,11,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 226.19 g/mol, XLogP of -1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 2893375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).