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

C9H10N2O5 — CID 107833018

IUPAC(2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1cncc(O)c1
InChIInChI=1S/C9H10N2O5/c12-6-1-5(2-10-3-6)8(14)11-4-7(13)9(15)16/h1-3,7,12-13H,4H2,(H,11,14)(H,15,16)/t7-/m0/s1
InChIKeyQCUPDGQWKHQXME-ZETCQYMHSA-N
MW226.19 g/mol
LogP-1.04
Rot. Bonds4

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

(2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid (PubChem CID 107833018) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
PubChem CID107833018
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name(2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1cncc(O)c1
InChIInChI=1S/C9H10N2O5/c12-6-1-5(2-10-3-6)8(14)11-4-7(13)9(15)16/h1-3,7,12-13H,4H2,(H,11,14)(H,15,16)/t7-/m0/s1
InChIKeyQCUPDGQWKHQXME-ZETCQYMHSA-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-[(3,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107702673
3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63851328
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
CID 63851883
2-[(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 770223
5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide
CID 113237911
5-hydroxy-N-(3-methoxy-2-methylpropyl)pyridine-3-carboxamide
CID 63858922
N-(2-cyclopropylpropyl)-5-hydroxypyridine-3-carboxamide
CID 115622011
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
N-(2,2-dimethylpropyl)-5-hydroxypyridine-3-carboxamide
CID 63866542
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66165173
N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane
CID 143571890
5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid (CID 107833018) is (2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid is O=C(NC[C@H](O)C(=O)O)c1cncc(O)c1.
What is the InChIKey of (2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is QCUPDGQWKHQXME-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-6-1-5(2-10-3-6)8(14)11-4-7(13)9(15)16/h1-3,7,12-13H,4H2,(H,11,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(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 (2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107833018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).