1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate

C14H21FN2O3 — CID 146368497

IUPAC1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate
SMILESCCCC(F)OC(=O)CC(CN)c1ncccc1OC
InChIInChI=1S/C14H21FN2O3/c1-3-5-12(15)20-13(18)8-10(9-16)14-11(19-2)6-4-7-17-14/h4,6-7,10,12H,3,5,8-9,16H2,1-2H3
InChIKeyZDCXACDRCHHTIH-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.16
Rot. Bonds8

About 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate

1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate (PubChem CID 146368497) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate.

Molecular Properties

Compound Name1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate
PubChem CID146368497
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate
SMILESCCCC(F)OC(=O)CC(CN)c1ncccc1OC
InChIInChI=1S/C14H21FN2O3/c1-3-5-12(15)20-13(18)8-10(9-16)14-11(19-2)6-4-7-17-14/h4,6-7,10,12H,3,5,8-9,16H2,1-2H3
InChIKeyZDCXACDRCHHTIH-UHFFFAOYSA-N
XLogP2.16
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate?
The IUPAC name of 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate (CID 146368497) is 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate.
What is the SMILES notation for 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate?
The canonical SMILES for 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate is CCCC(F)OC(=O)CC(CN)c1ncccc1OC.
What is the InChIKey of 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate?
The InChIKey is ZDCXACDRCHHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-3-5-12(15)20-13(18)8-10(9-16)14-11(19-2)6-4-7-17-14/h4,6-7,10,12H,3,5,8-9,16H2,1-2H3.
What are the key properties of 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate?
1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate has a molecular weight of 284.33 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl 4-amino-3-(3-methoxy-2-pyridinyl)butanoate is sourced from PubChem (CID 146368497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).