2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid

C9H11FN2O2 — CID 130039671

IUPAC2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ncccc1F)C(=O)O
InChIInChI=1S/C9H11FN2O2/c1-9(11,8(13)14)5-7-6(10)3-2-4-12-7/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyJLERHJRWFTUKNP-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid

2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid (PubChem CID 130039671) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid
PubChem CID130039671
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ncccc1F)C(=O)O
InChIInChI=1S/C9H11FN2O2/c1-9(11,8(13)14)5-7-6(10)3-2-4-12-7/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyJLERHJRWFTUKNP-UHFFFAOYSA-N
XLogP0.57
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid (CID 130039671) is 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid is CC(N)(Cc1ncccc1F)C(=O)O.
What is the InChIKey of 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid?
The InChIKey is JLERHJRWFTUKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-9(11,8(13)14)5-7-6(10)3-2-4-12-7/h2-4H,5,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid?
2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid has a molecular weight of 198.20 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 130039671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).