3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid

C12H17NO3 — CID 82525236

IUPAC3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)c(=O)n1C(C)C
InChIInChI=1S/C12H17NO3/c1-8(2)13-9(3)4-5-10(12(13)16)6-7-11(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyJRENXZKQCPQNJM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.75
Rot. Bonds4

About 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid

3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid (PubChem CID 82525236) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
PubChem CID82525236
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)c(=O)n1C(C)C
InChIInChI=1S/C12H17NO3/c1-8(2)13-9(3)4-5-10(12(13)16)6-7-11(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyJRENXZKQCPQNJM-UHFFFAOYSA-N
XLogP1.75
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-methyl-2-oxo-1-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid (CID 82525236) is 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid is Cc1ccc(CCC(=O)O)c(=O)n1C(C)C.
What is the InChIKey of 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
The InChIKey is JRENXZKQCPQNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)13-9(3)4-5-10(12(13)16)6-7-11(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 82525236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).