3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid

C11H15NO3 — CID 82526228

IUPAC3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid
SMILESCc1cc(C)n(C)c(=O)c1CCC(=O)O
InChIInChI=1S/C11H15NO3/c1-7-6-8(2)12(3)11(15)9(7)4-5-10(13)14/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyTWIGERVIEROADP-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.02
Rot. Bonds3

About 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid

3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid (PubChem CID 82526228) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid
PubChem CID82526228
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid
SMILESCc1cc(C)n(C)c(=O)c1CCC(=O)O
InChIInChI=1S/C11H15NO3/c1-7-6-8(2)12(3)11(15)9(7)4-5-10(13)14/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyTWIGERVIEROADP-UHFFFAOYSA-N
XLogP1.02
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic 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

1,4,6-trimethyl-3-(sulfanylmethyl)pyridin-2-one
CID 82526280
3-[4-(hydroxymethyl)-2,6-dimethylphenyl]propanoic acid
CID 57437403
3-(1,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)propanoic acid
CID 96594752
3-(4,6-dimethyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoyl chloride
CID 82526097
3-(1,9-dimethyl-7-oxo-2,3,4,5-tetrahydropyrido[1,2-a][1,3]diazepin-10-yl)propanoic acid
CID 82624651
3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82525616
3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
CID 15160751
3-(3-formyl-2,4,6-trimethylphenyl)propanoic acid
CID 132775164
3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium
CID 59858101
3-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 83846166
3-(1,2-dimethyl-4,9-dioxobenzo[f]indol-3-yl)propanoic acid
CID 101113104
3-iodo-1,4,6-trimethylpyridin-2-one
CID 20812486

Frequently Asked Questions

What is the IUPAC name of 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid (CID 82526228) is 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid is Cc1cc(C)n(C)c(=O)c1CCC(=O)O.
What is the InChIKey of 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid?
The InChIKey is TWIGERVIEROADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-6-8(2)12(3)11(15)9(7)4-5-10(13)14/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid?
3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid is sourced from PubChem (CID 82526228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).