1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate

C13H19FN2O2 — CID 146368456

IUPAC1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate
SMILESCCCC(F)OC(=O)CC(CN)c1ccccn1
InChIInChI=1S/C13H19FN2O2/c1-2-5-12(14)18-13(17)8-10(9-15)11-6-3-4-7-16-11/h3-4,6-7,10,12H,2,5,8-9,15H2,1H3
InChIKeyWBGDEJXYTJTQHL-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.15
Rot. Bonds7

About 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate

1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate (PubChem CID 146368456) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate.

Molecular Properties

Compound Name1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate
PubChem CID146368456
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate
SMILESCCCC(F)OC(=O)CC(CN)c1ccccn1
InChIInChI=1S/C13H19FN2O2/c1-2-5-12(14)18-13(17)8-10(9-15)11-6-3-4-7-16-11/h3-4,6-7,10,12H,2,5,8-9,15H2,1H3
InChIKeyWBGDEJXYTJTQHL-UHFFFAOYSA-N
XLogP2.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluorobutyl 4-amino-3-(2-ethoxyphenyl)butanoate;hydrochloride
CID 146368517
1-fluorobutyl 4-amino-3-(2-fluoro-6-methoxyphenyl)butanoate
CID 146368534
4-methyl-2-pyridin-2-ylheptan-1-amine
CID 54593230
(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine
CID 95241708
1-fluorobutyl 5-amino-4-[2-(difluoromethoxy)phenyl]pentanoate
CID 146368484
1-fluorobutyl 5-amino-4-[2-(trifluoromethoxy)phenyl]pentanoate
CID 146368383
2-(1-fluorobutyl)pyridine
CID 66584665
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
3-(4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 112509068
1-pyridin-2-ylethyl propanoate
CID 141268318
(3-hydroxy-2-pyridin-2-ylpropyl) acetate
CID 22101011
4-pyridin-2-ylheptanal
CID 88746457

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate?
The IUPAC name of 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate (CID 146368456) is 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate.
What is the SMILES notation for 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate?
The canonical SMILES for 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate is CCCC(F)OC(=O)CC(CN)c1ccccn1.
What is the InChIKey of 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate?
The InChIKey is WBGDEJXYTJTQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-5-12(14)18-13(17)8-10(9-15)11-6-3-4-7-16-11/h3-4,6-7,10,12H,2,5,8-9,15H2,1H3.
What are the key properties of 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate?
1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate has a molecular weight of 254.31 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl 4-amino-3-pyridin-2-ylbutanoate is sourced from PubChem (CID 146368456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).