2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid

C11H14N2O5 — CID 65219647

IUPAC2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-2-6(11(17)18)5-12-10(16)7-3-8(14)13-9(15)4-7/h3-4,6H,2,5H2,1H3,(H,12,16)(H,17,18)(H2,13,14,15)
InChIKeyHESVIAMCQPAFAM-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.08
Rot. Bonds5

About 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid

2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid (PubChem CID 65219647) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
PubChem CID65219647
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-2-6(11(17)18)5-12-10(16)7-3-8(14)13-9(15)4-7/h3-4,6H,2,5H2,1H3,(H,12,16)(H,17,18)(H2,13,14,15)
InChIKeyHESVIAMCQPAFAM-UHFFFAOYSA-N
XLogP-0.08
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218519
(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid
CID 107833494
2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65219989
N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 66177293
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
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 104981474
3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113307764
2-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]butanoic acid
CID 82833378
2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 66173796
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
1-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311941

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid (CID 65219647) is 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O.
What is the InChIKey of 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid?
The InChIKey is HESVIAMCQPAFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-2-6(11(17)18)5-12-10(16)7-3-8(14)13-9(15)4-7/h3-4,6H,2,5H2,1H3,(H,12,16)(H,17,18)(H2,13,14,15).
What are the key properties of 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid?
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid has a molecular weight of 254.24 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65219647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).