2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid

C13H19FN2O2 — CID 112586667

IUPAC2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
SMILESCCCC(NC(CC)c1ccc(F)cn1)C(=O)O
InChIInChI=1S/C13H19FN2O2/c1-3-5-12(13(17)18)16-10(4-2)11-7-6-9(14)8-15-11/h6-8,10,12,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyCXDPANYQVWXXBZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.51
Rot. Bonds7

About 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid

2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid (PubChem CID 112586667) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
PubChem CID112586667
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
SMILESCCCC(NC(CC)c1ccc(F)cn1)C(=O)O
InChIInChI=1S/C13H19FN2O2/c1-3-5-12(13(17)18)16-10(4-2)11-7-6-9(14)8-15-11/h6-8,10,12,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyCXDPANYQVWXXBZ-UHFFFAOYSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid
CID 112586666
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962
2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
2-[1-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 83041635
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
4-fluoro-3-[1-(5-fluoro-2-pyridinyl)propylamino]benzoic acid
CID 115938582
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid (CID 112586667) is 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid is CCCC(NC(CC)c1ccc(F)cn1)C(=O)O.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid?
The InChIKey is CXDPANYQVWXXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-5-12(13(17)18)16-10(4-2)11-7-6-9(14)8-15-11/h6-8,10,12,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid?
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid has a molecular weight of 254.30 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid is sourced from PubChem (CID 112586667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).