3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid

C12H16N2O4 — CID 24704009

IUPAC3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(=O)[nH]c1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-7(2)10(12(17)18)14-11(16)8-4-5-9(15)13-6-8/h4-7,10H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyORLNHBNVYSFDGV-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.60
Rot. Bonds5

About 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid

3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 24704009) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
PubChem CID24704009
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(=O)[nH]c1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-3-7(2)10(12(17)18)14-11(16)8-4-5-9(15)13-6-8/h4-7,10H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyORLNHBNVYSFDGV-UHFFFAOYSA-N
XLogP0.60
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (CID 24704009) is 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1ccc(=O)[nH]c1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is ORLNHBNVYSFDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-7(2)10(12(17)18)14-11(16)8-4-5-9(15)13-6-8/h4-7,10H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 24704009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).