tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate

C10H18N2O3 — CID 155904266

IUPACtert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate
SMILESC[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-7-5-11-8(13)6-12(7)9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,13)/t7-/m1/s1
InChIKeyNYBJRGJELSODLU-SSDOTTSWSA-N
MW214.26 g/mol
LogP0.74
Rot. Bonds

About tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate

tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate (PubChem CID 155904266) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate
PubChem CID155904266
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate
SMILESC[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-7-5-11-8(13)6-12(7)9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,13)/t7-/m1/s1
InChIKeyNYBJRGJELSODLU-SSDOTTSWSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate (CID 155904266) is tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate is C[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate?
The InChIKey is NYBJRGJELSODLU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-5-11-8(13)6-12(7)9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,13)/t7-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate?
tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-5-oxopiperazine-1-carboxylate is sourced from PubChem (CID 155904266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).