2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid

C19H22N2O4 — CID 82031123

IUPAC2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid
SMILESCCCC(C(=O)NC(C(=O)O)c1ccccc1)n1c(C)cccc1=O
InChIInChI=1S/C19H22N2O4/c1-3-8-15(21-13(2)9-7-12-16(21)22)18(23)20-17(19(24)25)14-10-5-4-6-11-14/h4-7,9-12,15,17H,3,8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyJUBXLGUIYIQBKY-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.44
Rot. Bonds7

About 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid

2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid (PubChem CID 82031123) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid
PubChem CID82031123
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid
SMILESCCCC(C(=O)NC(C(=O)O)c1ccccc1)n1c(C)cccc1=O
InChIInChI=1S/C19H22N2O4/c1-3-8-15(21-13(2)9-7-12-16(21)22)18(23)20-17(19(24)25)14-10-5-4-6-11-14/h4-7,9-12,15,17H,3,8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyJUBXLGUIYIQBKY-UHFFFAOYSA-N
XLogP2.44
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid
CID 82031547
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetic acid
CID 103871039
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid
CID 119367809
2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid
CID 81297756
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
4-[[carboxy(phenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid?
The IUPAC name of 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid (CID 82031123) is 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid is CCCC(C(=O)NC(C(=O)O)c1ccccc1)n1c(C)cccc1=O.
What is the InChIKey of 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid?
The InChIKey is JUBXLGUIYIQBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-8-15(21-13(2)9-7-12-16(21)22)18(23)20-17(19(24)25)14-10-5-4-6-11-14/h4-7,9-12,15,17H,3,8H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid?
2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid has a molecular weight of 342.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-6-oxo-1-pyridinyl)pentanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 82031123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).