tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate

C12H23N3O3 — CID 28505550

IUPACtert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
SMILESC[C@@H](N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(13)10(16)14-5-7-15(8-6-14)11(17)18-12(2,3)4/h9H,5-8,13H2,1-4H3/t9-/m1/s1
InChIKeyNZRXVNBASOFPND-SECBINFHSA-N
MW257.33 g/mol
LogP0.41
Rot. Bonds1

About tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate

tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate (PubChem CID 28505550) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
PubChem CID28505550
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
SMILESC[C@@H](N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(13)10(16)14-5-7-15(8-6-14)11(17)18-12(2,3)4/h9H,5-8,13H2,1-4H3/t9-/m1/s1
InChIKeyNZRXVNBASOFPND-SECBINFHSA-N
XLogP0.41
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
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tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
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tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
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tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
CID 22284452
4-O-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 1-O-tert-butyl piperidine-1,4-dicarboxylate
CID 55540874
tert-butyl azetidine-1-carboxylate iodide
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tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
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CID 11771344

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate (CID 28505550) is tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate is C[C@@H](N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate?
The InChIKey is NZRXVNBASOFPND-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(13)10(16)14-5-7-15(8-6-14)11(17)18-12(2,3)4/h9H,5-8,13H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate?
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 28505550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).