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

C9H10N2O5 — CID 107833697

IUPAC(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1ncccc1O
InChIInChI=1S/C9H10N2O5/c12-5-2-1-3-10-7(5)8(14)11-4-6(13)9(15)16/h1-3,6,12-13H,4H2,(H,11,14)(H,15,16)/t6-/m0/s1
InChIKeyFYGDOZZOFYNDJE-LURJTMIESA-N
MW226.19 g/mol
LogP-1.04
Rot. Bonds4

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

(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid (PubChem CID 107833697) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
PubChem CID107833697
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1ncccc1O
InChIInChI=1S/C9H10N2O5/c12-5-2-1-3-10-7(5)8(14)11-4-6(13)9(15)16/h1-3,6,12-13H,4H2,(H,11,14)(H,15,16)/t6-/m0/s1
InChIKeyFYGDOZZOFYNDJE-LURJTMIESA-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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Related Compounds

3-hydroxy-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 115302635
2-hydroxy-3-(isoquinoline-1-carbonylamino)propanoic acid
CID 66166243
3-hydroxypyridine-2-carbohydrazide
CID 45083058
3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide
CID 113430399
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid
CID 168937585
4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
CID 61243452
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54861412
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid (CID 107833697) is (2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid is O=C(NC[C@H](O)C(=O)O)c1ncccc1O.
What is the InChIKey of (2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is FYGDOZZOFYNDJE-LURJTMIESA-N. The full InChI is InChI=1S/C9H10N2O5/c12-5-2-1-3-10-7(5)8(14)11-4-6(13)9(15)16/h1-3,6,12-13H,4H2,(H,11,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-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 (2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107833697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).