3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid

C10H14N2O3 — CID 82994151

IUPAC3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1ccc(=O)c(N)c1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(2,9(14)15)6-12-4-3-8(13)7(11)5-12/h3-5H,6,11H2,1-2H3,(H,14,15)
InChIKeyPMFJLBRLCRMFDT-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.54
Rot. Bonds3

About 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid

3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid (PubChem CID 82994151) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
PubChem CID82994151
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1ccc(=O)c(N)c1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(2,9(14)15)6-12-4-3-8(13)7(11)5-12/h3-5H,6,11H2,1-2H3,(H,14,15)
InChIKeyPMFJLBRLCRMFDT-UHFFFAOYSA-N
XLogP0.54
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid (CID 82994151) is 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid is CC(C)(Cn1ccc(=O)c(N)c1)C(=O)O.
What is the InChIKey of 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
The InChIKey is PMFJLBRLCRMFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,9(14)15)6-12-4-3-8(13)7(11)5-12/h3-5H,6,11H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid?
3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 82994151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).