2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid

C11H16N2O3 — CID 57147718

IUPAC2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)n1cccc(N)c1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)8(10(15)16)13-6-4-5-7(12)9(13)14/h4-6,8H,12H2,1-3H3,(H,15,16)
InChIKeyVYQNTEPDIIPBOT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.10
Rot. Bonds2

About 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid

2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid (PubChem CID 57147718) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid
PubChem CID57147718
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)n1cccc(N)c1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)8(10(15)16)13-6-4-5-7(12)9(13)14/h4-6,8H,12H2,1-3H3,(H,15,16)
InChIKeyVYQNTEPDIIPBOT-UHFFFAOYSA-N
XLogP1.10
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid (CID 57147718) is 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid is CC(C)(C)C(C(=O)O)n1cccc(N)c1=O.
What is the InChIKey of 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid?
The InChIKey is VYQNTEPDIIPBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)8(10(15)16)13-6-4-5-7(12)9(13)14/h4-6,8H,12H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid?
2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1-pyridinyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 57147718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).