tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate

C11H21N3O3 — CID 28505547

IUPACtert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CN)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8,12H2,1-3H3
InChIKeyZZJVMJWYXXRNPF-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.02
Rot. Bonds1

About tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate

tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate (PubChem CID 28505547) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate
PubChem CID28505547
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CN)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8,12H2,1-3H3
InChIKeyZZJVMJWYXXRNPF-UHFFFAOYSA-N
XLogP0.02
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate (CID 28505547) is tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)CN)CC1.
What is the InChIKey of tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate?
The InChIKey is ZZJVMJWYXXRNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8,12H2,1-3H3.
What are the key properties of tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate?
tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 28505547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).