(2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid

C11H15NO3 — CID 92942126

IUPAC(2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid
SMILESCCC[C@@H](C(=O)O)n1ccc(C)cc1=O
InChIInChI=1S/C11H15NO3/c1-3-4-9(11(14)15)12-6-5-8(2)7-10(12)13/h5-7,9H,3-4H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyWXBRLPRDVHDMJC-VIFPVBQESA-N
MW209.25 g/mol
LogP1.58
Rot. Bonds4

About (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid

(2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid (PubChem CID 92942126) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid
PubChem CID92942126
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid
SMILESCCC[C@@H](C(=O)O)n1ccc(C)cc1=O
InChIInChI=1S/C11H15NO3/c1-3-4-9(11(14)15)12-6-5-8(2)7-10(12)13/h5-7,9H,3-4H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyWXBRLPRDVHDMJC-VIFPVBQESA-N
XLogP1.58
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid?
The IUPAC name of (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid (CID 92942126) is (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid.
What is the SMILES notation for (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid?
The canonical SMILES for (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid is CCC[C@@H](C(=O)O)n1ccc(C)cc1=O.
What is the InChIKey of (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid?
The InChIKey is WXBRLPRDVHDMJC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-4-9(11(14)15)12-6-5-8(2)7-10(12)13/h5-7,9H,3-4H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid?
(2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid is sourced from PubChem (CID 92942126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).