tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate

C13H24N2O4 — CID 10333439

IUPACtert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate
SMILESCC(C)(C)OC(=O)COC1CCN(C(=O)CN)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)9-18-10-4-6-15(7-5-10)11(16)8-14/h10H,4-9,14H2,1-3H3
InChIKeyIZCSVTAQLULJFK-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.29
Rot. Bonds4

About tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate

tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate (PubChem CID 10333439) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate
PubChem CID10333439
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate
SMILESCC(C)(C)OC(=O)COC1CCN(C(=O)CN)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)9-18-10-4-6-15(7-5-10)11(16)8-14/h10H,4-9,14H2,1-3H3
InChIKeyIZCSVTAQLULJFK-UHFFFAOYSA-N
XLogP0.29
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate (CID 10333439) is tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate is CC(C)(C)OC(=O)COC1CCN(C(=O)CN)CC1.
What is the InChIKey of tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate?
The InChIKey is IZCSVTAQLULJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)9-18-10-4-6-15(7-5-10)11(16)8-14/h10H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate?
tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate has a molecular weight of 272.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate is sourced from PubChem (CID 10333439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).