2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid

C8H11NO3 — CID 123498255

IUPAC2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid
SMILESCC1CC=CC(=O)N1CC(=O)O
InChIInChI=1S/C8H11NO3/c1-6-3-2-4-7(10)9(6)5-8(11)12/h2,4,6H,3,5H2,1H3,(H,11,12)
InChIKeyDRYATWDQUQZMNO-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.25
Rot. Bonds2

About 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid

2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid (PubChem CID 123498255) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid
PubChem CID123498255
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid
SMILESCC1CC=CC(=O)N1CC(=O)O
InChIInChI=1S/C8H11NO3/c1-6-3-2-4-7(10)9(6)5-8(11)12/h2,4,6H,3,5H2,1H3,(H,11,12)
InChIKeyDRYATWDQUQZMNO-UHFFFAOYSA-N
XLogP0.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid?
The IUPAC name of 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid (CID 123498255) is 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid is CC1CC=CC(=O)N1CC(=O)O.
What is the InChIKey of 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid?
The InChIKey is DRYATWDQUQZMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-3-2-4-7(10)9(6)5-8(11)12/h2,4,6H,3,5H2,1H3,(H,11,12).
What are the key properties of 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid?
2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)acetic acid is sourced from PubChem (CID 123498255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).