[2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate

C11H22N4O3 — CID 123837521

IUPAC[2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate
SMILESCC(C)(C)ON=C(N)COC(=O)N1CCNCC1
InChIInChI=1S/C11H22N4O3/c1-11(2,3)18-14-9(12)8-17-10(16)15-6-4-13-5-7-15/h13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyHLTFNBAREWIMCW-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.12
Rot. Bonds3

About [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate

[2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate (PubChem CID 123837521) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate
PubChem CID123837521
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name[2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate
SMILESCC(C)(C)ON=C(N)COC(=O)N1CCNCC1
InChIInChI=1S/C11H22N4O3/c1-11(2,3)18-14-9(12)8-17-10(16)15-6-4-13-5-7-15/h13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyHLTFNBAREWIMCW-UHFFFAOYSA-N
XLogP0.12
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate?
The IUPAC name of [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate (CID 123837521) is [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate.
What is the SMILES notation for [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate?
The canonical SMILES for [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate is CC(C)(C)ON=C(N)COC(=O)N1CCNCC1.
What is the InChIKey of [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate?
The InChIKey is HLTFNBAREWIMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-11(2,3)18-14-9(12)8-17-10(16)15-6-4-13-5-7-15/h13H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate?
[2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-[(2-methylpropan-2-yl)oxyimino]ethyl] piperazine-1-carboxylate is sourced from PubChem (CID 123837521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).