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

C13H18N2O5 — CID 43623943

IUPACmethyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)OC
InChIInChI=1S/C13H18N2O5/c1-4-5-13(2,12(19)20-3)15-11(18)8-6-9(16)14-10(17)7-8/h6-7H,4-5H2,1-3H3,(H,15,18)(H2,14,16,17)
InChIKeyYBRSIRJLUVWVAE-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.54
Rot. Bonds5

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

methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate (PubChem CID 43623943) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate
PubChem CID43623943
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)OC
InChIInChI=1S/C13H18N2O5/c1-4-5-13(2,12(19)20-3)15-11(18)8-6-9(16)14-10(17)7-8/h6-7H,4-5H2,1-3H3,(H,15,18)(H2,14,16,17)
InChIKeyYBRSIRJLUVWVAE-UHFFFAOYSA-N
XLogP0.54
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 24706994
(2R)-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 28208839
(2S)-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 28208841
2-cyclopropyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid
CID 43341269
Methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate
CID 43431508
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoic acid
CID 43618647
methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate
CID 43623211
methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43623898
4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 62043266
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79793117
2-ethyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
CID 79806257
1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165162

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate (CID 43623943) is methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)OC.
What is the InChIKey of methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate?
The InChIKey is YBRSIRJLUVWVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-5-13(2,12(19)20-3)15-11(18)8-6-9(16)14-10(17)7-8/h6-7H,4-5H2,1-3H3,(H,15,18)(H2,14,16,17).
What are the key properties of methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate?
methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate has a molecular weight of 282.30 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpentanoate is sourced from PubChem (CID 43623943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).