2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid

C13H18N2O4 — CID 43618914

IUPAC2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1ccn(C)c(=O)c1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-6-13(2,12(18)19)14-11(17)9-5-7-15(3)10(16)8-9/h5,7-8H,4,6H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyAWCLHZDNTHUNBD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.76
Rot. Bonds5

About 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid

2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid (PubChem CID 43618914) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid
PubChem CID43618914
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1ccn(C)c(=O)c1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-6-13(2,12(18)19)14-11(17)9-5-7-15(3)10(16)8-9/h5,7-8H,4,6H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyAWCLHZDNTHUNBD-UHFFFAOYSA-N
XLogP0.76
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic 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 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid (CID 43618914) is 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid is CCCC(C)(NC(=O)c1ccn(C)c(=O)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid?
The InChIKey is AWCLHZDNTHUNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-6-13(2,12(18)19)14-11(17)9-5-7-15(3)10(16)8-9/h5,7-8H,4,6H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid?
2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43618914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).