2-(5-methyl-2-oxo-1-pyridinyl)acetic acid

C8H9NO3 — CID 1096408

IUPAC2-(5-methyl-2-oxo-1-pyridinyl)acetic acid
SMILESCc1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C8H9NO3/c1-6-2-3-7(10)9(4-6)5-8(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyZKDUMDUOAOANGR-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.24
Rot. Bonds2

About 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid

2-(5-methyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 1096408) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID1096408
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(5-methyl-2-oxo-1-pyridinyl)acetic acid
SMILESCc1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C8H9NO3/c1-6-2-3-7(10)9(4-6)5-8(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyZKDUMDUOAOANGR-UHFFFAOYSA-N
XLogP0.24
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 651661
2-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
2-(3-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 39103283
N-Sorboylsarkosin
CID 24708453
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 3611941
2-[(5-Fluoro-3-methylcyclohexa-1,5-diene-1-carbonyl)-methylamino]acetic acid
CID 89688677
2-[5-(Difluoromethyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid
CID 122240432
2-[5-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 135363600
2-[2-Oxo-3,5-bis(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458865
Fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 144729128
1-(Carboxymethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 46868558
Pentaaqua[2-(5-carboxylato-2-oxido-1-pyridinio)acetato]zinc(II) monohydrate
CID 168309856

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid (CID 1096408) is 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid is Cc1ccc(=O)n(CC(=O)O)c1.
What is the InChIKey of 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is ZKDUMDUOAOANGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6-2-3-7(10)9(4-6)5-8(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid?
2-(5-methyl-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 1096408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).