(3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid

C11H22N2O2 — CID 146361727

IUPAC(3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid
SMILESCC[C@H]1NCCN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-9(11(2,3)4)13(10(14)15)7-6-12-8/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9?/m1/s1
InChIKeyRYVXJLUPYBZPSN-VEDVMXKPSA-N
MW214.31 g/mol
LogP1.76
Rot. Bonds1

About (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid

(3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid (PubChem CID 146361727) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid
PubChem CID146361727
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid
SMILESCC[C@H]1NCCN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-5-8-9(11(2,3)4)13(10(14)15)7-6-12-8/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9?/m1/s1
InChIKeyRYVXJLUPYBZPSN-VEDVMXKPSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid?
The IUPAC name of (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid (CID 146361727) is (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid?
The canonical SMILES for (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid is CC[C@H]1NCCN(C(=O)O)C1C(C)(C)C.
What is the InChIKey of (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid?
The InChIKey is RYVXJLUPYBZPSN-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-8-9(11(2,3)4)13(10(14)15)7-6-12-8/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9?/m1/s1.
What are the key properties of (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid?
(3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-3-ethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 146361727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).