3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid

C11H15FN2O2 — CID 83128740

IUPAC3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
SMILESCC(c1ccc(F)cn1)N(C)CCC(=O)O
InChIInChI=1S/C11H15FN2O2/c1-8(14(2)6-5-11(15)16)10-4-3-9(12)7-13-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyADJTYUKDQRCLPB-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.69
Rot. Bonds5

About 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid

3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid (PubChem CID 83128740) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
PubChem CID83128740
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
SMILESCC(c1ccc(F)cn1)N(C)CCC(=O)O
InChIInChI=1S/C11H15FN2O2/c1-8(14(2)6-5-11(15)16)10-4-3-9(12)7-13-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyADJTYUKDQRCLPB-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-methylamino]propanoic acid
CID 82313139
4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid
CID 83835208
1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 83126762
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353
4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877149
3-[[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911512
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
3-[[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119912217
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid
CID 167014812

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid (CID 83128740) is 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid is CC(c1ccc(F)cn1)N(C)CCC(=O)O.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid?
The InChIKey is ADJTYUKDQRCLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8(14(2)6-5-11(15)16)10-4-3-9(12)7-13-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid?
3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid has a molecular weight of 226.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid is sourced from PubChem (CID 83128740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).