4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid

C14H20N2O4 — CID 82031618

IUPAC4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid
SMILESCc1cccc(=O)n1C(C)(C)C(=O)NCCCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-10-6-4-7-11(17)16(10)14(2,3)13(20)15-9-5-8-12(18)19/h4,6-7H,5,8-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyITUMOVJAFHNQOY-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.87
Rot. Bonds6

About 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid

4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid (PubChem CID 82031618) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid
PubChem CID82031618
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid
SMILESCc1cccc(=O)n1C(C)(C)C(=O)NCCCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-10-6-4-7-11(17)16(10)14(2,3)13(20)15-9-5-8-12(18)19/h4,6-7H,5,8-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyITUMOVJAFHNQOY-UHFFFAOYSA-N
XLogP0.87
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid?
The IUPAC name of 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid (CID 82031618) is 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid is Cc1cccc(=O)n1C(C)(C)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid?
The InChIKey is ITUMOVJAFHNQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-6-4-7-11(17)16(10)14(2,3)13(20)15-9-5-8-12(18)19/h4,6-7H,5,8-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid?
4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 82031618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).