tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate

C12H22N2O3 — CID 90740557

IUPACtert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate
SMILESCCN1C[C@H](C)N(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O3/c1-6-13-7-9(2)14(8-10(13)15)11(16)17-12(3,4)5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyZAJRIQUVWUNEAD-VIFPVBQESA-N
MW242.32 g/mol
LogP1.47
Rot. Bonds1

About tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate

tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate (PubChem CID 90740557) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate
PubChem CID90740557
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate
SMILESCCN1C[C@H](C)N(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O3/c1-6-13-7-9(2)14(8-10(13)15)11(16)17-12(3,4)5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyZAJRIQUVWUNEAD-VIFPVBQESA-N
XLogP1.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid
CID 91436948
tert-butyl (3S,8aS)-3-methyl-7-oxo-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylate
CID 165341156
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
1-ethyl-4,5-dimethylpiperazin-2-one
CID 156824665
tert-butyl (2R,5S)-4-chloro-2,5-dimethylpiperazine-1-carboxylate
CID 86683704
tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate
CID 67362605
tert-butyl 2-(1-hydroxybut-1-enyl)-4-methyl-5-oxopiperazine-1-carboxylate
CID 142382874
tert-butyl (2S,3R)-3-ethoxy-2-methylazetidine-1-carboxylate
CID 178127390
tert-butyl 3-methyl-6-oxo-1,4-oxazepane-4-carboxylate
CID 118230392
(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
CID 131229386
tert-butyl 4-benzyl-2-(chloromethyl)-5-oxopiperazine-1-carboxylate
CID 132575495

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate (CID 90740557) is tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate is CCN1C[C@H](C)N(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate?
The InChIKey is ZAJRIQUVWUNEAD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6-13-7-9(2)14(8-10(13)15)11(16)17-12(3,4)5/h9H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate?
tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate is sourced from PubChem (CID 90740557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).