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

C10H13FN2O2 — CID 69488505

IUPAC2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1ncccc1CCF)C(=O)O
InChIInChI=1S/C10H13FN2O2/c11-4-3-7-2-1-5-13-9(7)6-8(12)10(14)15/h1-2,5,8H,3-4,6,12H2,(H,14,15)
InChIKeyDTKNBUKDJLOHJS-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.55
Rot. Bonds5

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

2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid (PubChem CID 69488505) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
PubChem CID69488505
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1ncccc1CCF)C(=O)O
InChIInChI=1S/C10H13FN2O2/c11-4-3-7-2-1-5-13-9(7)6-8(12)10(14)15/h1-2,5,8H,3-4,6,12H2,(H,14,15)
InChIKeyDTKNBUKDJLOHJS-UHFFFAOYSA-N
XLogP0.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
CID 84681612
2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid
CID 88580721
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69490346
(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
CID 169024941
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
2-amino-3-furo[2,3-b]pyridin-3-ylpropanoic acid
CID 84778964
2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 90660840
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid (CID 69488505) is 2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid is NC(Cc1ncccc1CCF)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
The InChIKey is DTKNBUKDJLOHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-4-3-7-2-1-5-13-9(7)6-8(12)10(14)15/h1-2,5,8H,3-4,6,12H2,(H,14,15).
What are the key properties of 2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 69488505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).