[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate

C11H18N4O4 — CID 174757930

IUPAC[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate
SMILESCC(=O)Oc1cn(CCNC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C11H18N4O4/c1-8(16)18-9-7-15(14-13-9)6-5-12-10(17)19-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,17)
InChIKeyPXJIDVNKGPUBAX-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.73
Rot. Bonds4

About [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate

[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate (PubChem CID 174757930) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate.

Molecular Properties

Compound Name[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate
PubChem CID174757930
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate
SMILESCC(=O)Oc1cn(CCNC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C11H18N4O4/c1-8(16)18-9-7-15(14-13-9)6-5-12-10(17)19-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,17)
InChIKeyPXJIDVNKGPUBAX-UHFFFAOYSA-N
XLogP0.73
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate?
The IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate (CID 174757930) is [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate.
What is the SMILES notation for [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate?
The canonical SMILES for [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate is CC(=O)Oc1cn(CCNC(=O)OC(C)(C)C)nn1.
What is the InChIKey of [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate?
The InChIKey is PXJIDVNKGPUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-8(16)18-9-7-15(14-13-9)6-5-12-10(17)19-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,17).
What are the key properties of [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate?
[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate has a molecular weight of 270.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl] acetate is sourced from PubChem (CID 174757930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).