tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate

C13H20FN3O2 — CID 171496962

IUPACtert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate
SMILESCc1c(F)cnc(N)c1CNCC(=O)OC(C)(C)C
InChIInChI=1S/C13H20FN3O2/c1-8-9(12(15)17-6-10(8)14)5-16-7-11(18)19-13(2,3)4/h6,16H,5,7H2,1-4H3,(H2,15,17)
InChIKeyZWPGFMMCPQBZCY-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.54
Rot. Bonds4

About tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate

tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate (PubChem CID 171496962) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate
PubChem CID171496962
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Nametert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate
SMILESCc1c(F)cnc(N)c1CNCC(=O)OC(C)(C)C
InChIInChI=1S/C13H20FN3O2/c1-8-9(12(15)17-6-10(8)14)5-16-7-11(18)19-13(2,3)4/h6,16H,5,7H2,1-4H3,(H2,15,17)
InChIKeyZWPGFMMCPQBZCY-UHFFFAOYSA-N
XLogP1.54
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate (CID 171496962) is tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate is Cc1c(F)cnc(N)c1CNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate?
The InChIKey is ZWPGFMMCPQBZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-8-9(12(15)17-6-10(8)14)5-16-7-11(18)19-13(2,3)4/h6,16H,5,7H2,1-4H3,(H2,15,17).
What are the key properties of tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate?
tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate has a molecular weight of 269.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-amino-5-fluoro-4-methyl-3-pyridinyl)methylamino]acetate is sourced from PubChem (CID 171496962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).