4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid

C10H13FN2O2 — CID 83835208

IUPAC4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc(F)cn1
InChIInChI=1S/C10H13FN2O2/c1-13(6-2-3-10(14)15)9-5-4-8(11)7-12-9/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyRJDNWKIXGBYMDJ-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.52
Rot. Bonds5

About 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid

4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid (PubChem CID 83835208) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid
PubChem CID83835208
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc(F)cn1
InChIInChI=1S/C10H13FN2O2/c1-13(6-2-3-10(14)15)9-5-4-8(11)7-12-9/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyRJDNWKIXGBYMDJ-UHFFFAOYSA-N
XLogP1.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 61311958
N'-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 62593517
4-[methyl(quinoxalin-2-yl)amino]butanoic acid
CID 62361159
4-[methyl(quinolin-2-yl)amino]butanoic acid
CID 43329714
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 55211095
4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid
CID 116973746
3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
CID 83128740
4-[methyl-(6-propylpyrimidin-4-yl)amino]butanoic acid
CID 61241091
methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
CID 107875425
4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid
CID 83841566
4-(4-cyano-2,6-difluoro-N-methylanilino)butanoic acid
CID 81293903
4-(5-fluoro-N-methyl-2-nitroanilino)butanoic acid
CID 62375711

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid (CID 83835208) is 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid is CN(CCCC(=O)O)c1ccc(F)cn1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid?
The InChIKey is RJDNWKIXGBYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-13(6-2-3-10(14)15)9-5-4-8(11)7-12-9/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid?
4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid has a molecular weight of 212.22 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid is sourced from PubChem (CID 83835208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).