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

C12H23N3O3 — CID 66568135

IUPACtert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)CN)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23N3O3/c1-9-8-14(10(16)7-13)5-6-15(9)11(17)18-12(2,3)4/h9H,5-8,13H2,1-4H3
InChIKeyOQCIUQPEPIGXIT-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.41
Rot. Bonds1

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

tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate (PubChem CID 66568135) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate
PubChem CID66568135
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)CN)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23N3O3/c1-9-8-14(10(16)7-13)5-6-15(9)11(17)18-12(2,3)4/h9H,5-8,13H2,1-4H3
InChIKeyOQCIUQPEPIGXIT-UHFFFAOYSA-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-methoxyacetyl)-3-methylpiperazine-1-carboxylate
CID 110460531
tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
CID 54759044
tert-butyl 4-methanidyl-2-methylpiperazine-1-carboxylate
CID 59347490
tert-butyl 4-(N'-hydroxycarbamimidoyl)-3-methylpiperazine-1-carboxylate
CID 174991389
tert-butyl (3R)-4-(4-aminobicyclo[2.2.2]octane-1-carbonyl)-3-methylpiperazine-1-carboxylate
CID 178203147
tert-butyl 3-methyl-4-(3,4,4-trimethylpentanoyl)piperazine-1-carboxylate
CID 86904160
tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate
CID 141428340
tert-butyl (2R)-4-(3-ethoxy-3-oxopropyl)-2-methylpiperazine-1-carboxylate
CID 130211602
tert-butyl (2S)-4-[2-(4-bromo-3-fluorophenyl)acetyl]-2-methylpiperazine-1-carboxylate
CID 176515872
tert-butyl (2R)-2-methyl-4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 98768098
tert-butyl (2R)-4-(3-hydroxypropyl)-2-methylpiperazine-1-carboxylate
CID 95777078
tert-butyl (2S)-4-[2-(4-ethenyl-2-methoxyphenyl)acetyl]-2-methylpiperazine-1-carboxylate
CID 176516280

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate (CID 66568135) is tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate is CC1CN(C(=O)CN)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate?
The InChIKey is OQCIUQPEPIGXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9-8-14(10(16)7-13)5-6-15(9)11(17)18-12(2,3)4/h9H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate?
tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-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-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 66568135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).