5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid

C13H16N2O5 — CID 82786990

IUPAC5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ncccc1C)C(=O)O
InChIInChI=1S/C13H16N2O5/c1-8-4-3-7-14-11(8)12(17)15-9(13(18)19)5-6-10(16)20-2/h3-4,7,9H,5-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyGRIYQFTYZMCDDP-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.53
Rot. Bonds6

About 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid

5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 82786990) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID82786990
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ncccc1C)C(=O)O
InChIInChI=1S/C13H16N2O5/c1-8-4-3-7-14-11(8)12(17)15-9(13(18)19)5-6-10(16)20-2/h3-4,7,9H,5-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyGRIYQFTYZMCDDP-UHFFFAOYSA-N
XLogP0.53
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
CID 107147311
5-methoxy-5-oxo-2-(pyridine-2-carbonylamino)pentanoic acid
CID 82786131
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63303459
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107981575
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
CID 82786676

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid (CID 82786990) is 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)c1ncccc1C)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is GRIYQFTYZMCDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-4-3-7-14-11(8)12(17)15-9(13(18)19)5-6-10(16)20-2/h3-4,7,9H,5-6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid?
5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 280.28 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 82786990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).