2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid

C10H14N2O3 — CID 22954643

IUPAC2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid
SMILESCNc1ccc(C)n(C(C)C(=O)O)c1=O
InChIInChI=1S/C10H14N2O3/c1-6-4-5-8(11-3)9(13)12(6)7(2)10(14)15/h4-5,7,11H,1-3H3,(H,14,15)
InChIKeyLGDFQIDBJWODHC-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.84
Rot. Bonds3

About 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid

2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 22954643) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid
PubChem CID22954643
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid
SMILESCNc1ccc(C)n(C(C)C(=O)O)c1=O
InChIInChI=1S/C10H14N2O3/c1-6-4-5-8(11-3)9(13)12(6)7(2)10(14)15/h4-5,7,11H,1-3H3,(H,14,15)
InChIKeyLGDFQIDBJWODHC-UHFFFAOYSA-N
XLogP0.84
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid (CID 22954643) is 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid is CNc1ccc(C)n(C(C)C(=O)O)c1=O.
What is the InChIKey of 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is LGDFQIDBJWODHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-4-5-8(11-3)9(13)12(6)7(2)10(14)15/h4-5,7,11H,1-3H3,(H,14,15).
What are the key properties of 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid?
2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 22954643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).