2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid

C15H26N2O6 — CID 90868223

IUPAC2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)O)C(C(=O)O)(C(C)(C)C)C1
InChIInChI=1S/C15H26N2O6/c1-13(2,3)15(10(18)19)9-16(7-8-17(15)11(20)21)12(22)23-14(4,5)6/h7-9H2,1-6H3,(H,18,19)(H,20,21)
InChIKeyZNQRRQLTVAJADY-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.09
Rot. Bonds1

About 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid

2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid (PubChem CID 90868223) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid
PubChem CID90868223
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)O)C(C(=O)O)(C(C)(C)C)C1
InChIInChI=1S/C15H26N2O6/c1-13(2,3)15(10(18)19)9-16(7-8-17(15)11(20)21)12(22)23-14(4,5)6/h7-9H2,1-6H3,(H,18,19)(H,20,21)
InChIKeyZNQRRQLTVAJADY-UHFFFAOYSA-N
XLogP2.09
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 5-(2,2-dimethylpropanoyl)-5,8-diazaspiro[3.5]nonane-8-carboxylate
CID 126750138
3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 84715377
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
ditert-butyl 2-(hydroxymethyl)-2-prop-2-enylpiperazine-1,4-dicarboxylate
CID 118358736
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl (4S)-3,3-difluoro-4-(methylamino)piperidine-1-carboxylate
CID 164876565
1-O,4-O-ditert-butyl 2-O-methyl 2-(methoxymethyl)piperazine-1,2,4-tricarboxylate
CID 170330703
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
3-(2-hydroxypropan-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 77134570

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid?
The IUPAC name of 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid (CID 90868223) is 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid?
The canonical SMILES for 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid is CC(C)(C)OC(=O)N1CCN(C(=O)O)C(C(=O)O)(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid?
The InChIKey is ZNQRRQLTVAJADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-13(2,3)15(10(18)19)9-16(7-8-17(15)11(20)21)12(22)23-14(4,5)6/h7-9H2,1-6H3,(H,18,19)(H,20,21).
What are the key properties of 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid?
2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid is sourced from PubChem (CID 90868223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).