2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid

C10H14N2O3 — CID 105463904

IUPAC2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid
SMILESCn1cc(N)cc(C(C)(C)C(=O)O)c1=O
InChIInChI=1S/C10H14N2O3/c1-10(2,9(14)15)7-4-6(11)5-12(3)8(7)13/h4-5H,11H2,1-3H3,(H,14,15)
InChIKeyMBUIZAJNOWCRPY-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.33
Rot. Bonds2

About 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid

2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid (PubChem CID 105463904) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid
PubChem CID105463904
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid
SMILESCn1cc(N)cc(C(C)(C)C(=O)O)c1=O
InChIInChI=1S/C10H14N2O3/c1-10(2,9(14)15)7-4-6(11)5-12(3)8(7)13/h4-5H,11H2,1-3H3,(H,14,15)
InChIKeyMBUIZAJNOWCRPY-UHFFFAOYSA-N
XLogP0.33
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid (CID 105463904) is 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid is Cn1cc(N)cc(C(C)(C)C(=O)O)c1=O.
What is the InChIKey of 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid?
The InChIKey is MBUIZAJNOWCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,9(14)15)7-4-6(11)5-12(3)8(7)13/h4-5H,11H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid?
2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methyl-2-oxo-3-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 105463904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).