[6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate

C17H19FN2O3 — CID 70517824

IUPAC[6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OCc1cccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN2O3/c1-11(2)16(19)17(21)22-10-13-4-3-5-15(20-13)23-14-8-6-12(18)7-9-14/h3-9,11,16H,10,19H2,1-2H3
InChIKeyDUPBYLSFVRIKIL-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.04
Rot. Bonds6

About [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate

[6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate (PubChem CID 70517824) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate
PubChem CID70517824
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name[6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OCc1cccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN2O3/c1-11(2)16(19)17(21)22-10-13-4-3-5-15(20-13)23-14-8-6-12(18)7-9-14/h3-9,11,16H,10,19H2,1-2H3
InChIKeyDUPBYLSFVRIKIL-UHFFFAOYSA-N
XLogP3.04
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate?
The IUPAC name of [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate (CID 70517824) is [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate.
What is the SMILES notation for [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate?
The canonical SMILES for [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)OCc1cccc(Oc2ccc(F)cc2)n1.
What is the InChIKey of [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate?
The InChIKey is DUPBYLSFVRIKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11(2)16(19)17(21)22-10-13-4-3-5-15(20-13)23-14-8-6-12(18)7-9-14/h3-9,11,16H,10,19H2,1-2H3.
What are the key properties of [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate?
[6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate has a molecular weight of 318.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenoxy)-2-pyridinyl]methyl 2-amino-3-methylbutanoate is sourced from PubChem (CID 70517824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).