methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate

C13H19FN2O2 — CID 112586775

IUPACmethyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate
SMILESCCC(CC(=O)OC)(c1ccc(F)cn1)C(C)N
InChIInChI=1S/C13H19FN2O2/c1-4-13(9(2)15,7-12(17)18-3)11-6-5-10(14)8-16-11/h5-6,8-9H,4,7,15H2,1-3H3
InChIKeyVIHJCDHKRUEJTE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.78
Rot. Bonds5

About methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate

methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate (PubChem CID 112586775) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate
PubChem CID112586775
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Namemethyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate
SMILESCCC(CC(=O)OC)(c1ccc(F)cn1)C(C)N
InChIInChI=1S/C13H19FN2O2/c1-4-13(9(2)15,7-12(17)18-3)11-6-5-10(14)8-16-11/h5-6,8-9H,4,7,15H2,1-3H3
InChIKeyVIHJCDHKRUEJTE-UHFFFAOYSA-N
XLogP1.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate?
The IUPAC name of methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate (CID 112586775) is methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate.
What is the SMILES notation for methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate?
The canonical SMILES for methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate is CCC(CC(=O)OC)(c1ccc(F)cn1)C(C)N.
What is the InChIKey of methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate?
The InChIKey is VIHJCDHKRUEJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-13(9(2)15,7-12(17)18-3)11-6-5-10(14)8-16-11/h5-6,8-9H,4,7,15H2,1-3H3.
What are the key properties of methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate?
methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate has a molecular weight of 254.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate is sourced from PubChem (CID 112586775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).