methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate

C14H20N2O4 — CID 103337285

IUPACmethyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C14H20N2O4/c1-10(2)9-16(7-5-13(18)20-3)14(19)11-8-15-6-4-12(11)17/h4,6,8,10H,5,7,9H2,1-3H3,(H,15,17)
InChIKeyIMLHLQBWGXAJBZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.04
Rot. Bonds6

About methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate

methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 103337285) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID103337285
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C14H20N2O4/c1-10(2)9-16(7-5-13(18)20-3)14(19)11-8-15-6-4-12(11)17/h4,6,8,10H,5,7,9H2,1-3H3,(H,15,17)
InChIKeyIMLHLQBWGXAJBZ-UHFFFAOYSA-N
XLogP1.04
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 103337285) is methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)c1c[nH]ccc1=O.
What is the InChIKey of methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is IMLHLQBWGXAJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)9-16(7-5-13(18)20-3)14(19)11-8-15-6-4-12(11)17/h4,6,8,10H,5,7,9H2,1-3H3,(H,15,17).
What are the key properties of methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 280.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methylpropyl-(4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 103337285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).