3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

C10H12N2O5 — CID 24704137

IUPAC3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C10H12N2O5/c1-5(13)7(10(16)17)12-9(15)6-3-2-4-11-8(6)14/h2-5,7,13H,1H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyIPHCJNSQOKKUIS-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.06
Rot. Bonds4

About 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (PubChem CID 24704137) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
PubChem CID24704137
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C10H12N2O5/c1-5(13)7(10(16)17)12-9(15)6-3-2-4-11-8(6)14/h2-5,7,13H,1H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyIPHCJNSQOKKUIS-UHFFFAOYSA-N
XLogP-1.06
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoic acid
CID 43208803
N-but-3-yn-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 114418972
2-[(2-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 61213819
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25443183
2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 66167281
N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107820528
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-3-hydroxybutanoic acid
CID 43238819
2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
CID 81453778
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (CID 24704137) is 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)c1ccc[nH]c1=O)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is IPHCJNSQOKKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5(13)7(10(16)17)12-9(15)6-3-2-4-11-8(6)14/h2-5,7,13H,1H3,(H,11,14)(H,12,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 240.22 g/mol, XLogP of -1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 24704137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).