4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid

C12H17NO3 — CID 153352831

IUPAC4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid
SMILESCC(C)CC(Cn1ccccc1=O)C(=O)O
InChIInChI=1S/C12H17NO3/c1-9(2)7-10(12(15)16)8-13-6-4-3-5-11(13)14/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyRPDMKAARZJKQTN-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.60
Rot. Bonds5

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

4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid (PubChem CID 153352831) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid
PubChem CID153352831
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid
SMILESCC(C)CC(Cn1ccccc1=O)C(=O)O
InChIInChI=1S/C12H17NO3/c1-9(2)7-10(12(15)16)8-13-6-4-3-5-11(13)14/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyRPDMKAARZJKQTN-UHFFFAOYSA-N
XLogP1.60
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid (CID 153352831) is 4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid is CC(C)CC(Cn1ccccc1=O)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid?
The InChIKey is RPDMKAARZJKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(2)7-10(12(15)16)8-13-6-4-3-5-11(13)14/h3-6,9-10H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid?
4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-oxo-1-pyridinyl)methyl]pentanoic acid is sourced from PubChem (CID 153352831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).