(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid

C9H10N2O6 — CID 107833494

IUPAC(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H10N2O6/c12-5(9(16)17)3-10-8(15)4-1-6(13)11-7(14)2-4/h1-2,5,12H,3H2,(H,10,15)(H,16,17)(H2,11,13,14)/t5-/m0/s1
InChIKeyMLPCKZCRTKMGFA-YFKPBYRVSA-N
MW242.19 g/mol
LogP-1.74
Rot. Bonds4

About (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 107833494) has the molecular formula C9H10N2O6 and a molecular weight of 242.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid
PubChem CID107833494
Molecular FormulaC9H10N2O6
Molecular Weight242.19 g/mol
Exact Mass242.05
IUPAC Name(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H10N2O6/c12-5(9(16)17)3-10-8(15)4-1-6(13)11-7(14)2-4/h1-2,5,12H,3H2,(H,10,15)(H,16,17)(H2,11,13,14)/t5-/m0/s1
InChIKeyMLPCKZCRTKMGFA-YFKPBYRVSA-N
XLogP-1.74
TPSA139.72 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 66177293
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 65219647
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218519
N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 64539564
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]acetic acid
CID 24711531
3-[(3,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107702673
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66165173
3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113307764
1-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311941
2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1H-pyridine-4-carboxamide
CID 66179128
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
(2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
CID 107833018

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid (CID 107833494) is (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid is O=C(NC[C@H](O)C(=O)O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is MLPCKZCRTKMGFA-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10N2O6/c12-5(9(16)17)3-10-8(15)4-1-6(13)11-7(14)2-4/h1-2,5,12H,3H2,(H,10,15)(H,16,17)(H2,11,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 242.19 g/mol, XLogP of -1.74, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107833494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).