3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid

C9H11NO3 — CID 63172676

IUPAC3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C9H11NO3/c1-7-3-2-5-10(9(7)13)6-4-8(11)12/h2-3,5H,4,6H2,1H3,(H,11,12)
InChIKeyYTQZFZGMOCQJHF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.63
Rot. Bonds3

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

3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 63172676) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid
PubChem CID63172676
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C9H11NO3/c1-7-3-2-5-10(9(7)13)6-4-8(11)12/h2-3,5H,4,6H2,1H3,(H,11,12)
InChIKeyYTQZFZGMOCQJHF-UHFFFAOYSA-N
XLogP0.63
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid (CID 63172676) is 3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid is Cc1cccn(CCC(=O)O)c1=O.
What is the InChIKey of 3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is YTQZFZGMOCQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7-3-2-5-10(9(7)13)6-4-8(11)12/h2-3,5H,4,6H2,1H3,(H,11,12).
What are the key properties of 3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid?
3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 63172676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).