2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid

C11H15NO3 — CID 82525356

IUPAC2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
SMILESCCCn1c(C)ccc(CC(=O)O)c1=O
InChIInChI=1S/C11H15NO3/c1-3-6-12-8(2)4-5-9(11(12)15)7-10(13)14/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyMSVMAPBBDCEUNZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.19
Rot. Bonds4

About 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid

2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid (PubChem CID 82525356) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
PubChem CID82525356
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
SMILESCCCn1c(C)ccc(CC(=O)O)c1=O
InChIInChI=1S/C11H15NO3/c1-3-6-12-8(2)4-5-9(11(12)15)7-10(13)14/h4-5H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyMSVMAPBBDCEUNZ-UHFFFAOYSA-N
XLogP1.19
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid (CID 82525356) is 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid is CCCn1c(C)ccc(CC(=O)O)c1=O.
What is the InChIKey of 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid?
The InChIKey is MSVMAPBBDCEUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-6-12-8(2)4-5-9(11(12)15)7-10(13)14/h4-5H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid?
2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 82525356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).