2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid

C10H13FN2O2 — CID 69492770

IUPAC2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
SMILESCC(N)(C(=O)O)c1ncccc1CCF
InChIInChI=1S/C10H13FN2O2/c1-10(12,9(14)15)8-7(4-5-11)3-2-6-13-8/h2-3,6H,4-5,12H2,1H3,(H,14,15)
InChIKeyOZMXUEPLTMSICO-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.85
Rot. Bonds4

About 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid

2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid (PubChem CID 69492770) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
PubChem CID69492770
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
SMILESCC(N)(C(=O)O)c1ncccc1CCF
InChIInChI=1S/C10H13FN2O2/c1-10(12,9(14)15)8-7(4-5-11)3-2-6-13-8/h2-3,6H,4-5,12H2,1H3,(H,14,15)
InChIKeyOZMXUEPLTMSICO-UHFFFAOYSA-N
XLogP0.85
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid (CID 69492770) is 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid is CC(N)(C(=O)O)c1ncccc1CCF.
What is the InChIKey of 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
The InChIKey is OZMXUEPLTMSICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-10(12,9(14)15)8-7(4-5-11)3-2-6-13-8/h2-3,6H,4-5,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 69492770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).