(2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid

C10H20N2O3 — CID 67390466

IUPAC(2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)[C@]1(CO)CNCCN1C(=O)O
InChIInChI=1S/C10H20N2O3/c1-9(2,3)10(7-13)6-11-4-5-12(10)8(14)15/h11,13H,4-7H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyAVMWEZDLQGIDQK-SNVBAGLBSA-N
MW216.28 g/mol
LogP0.35
Rot. Bonds1

About (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid

(2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid (PubChem CID 67390466) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
PubChem CID67390466
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)[C@]1(CO)CNCCN1C(=O)O
InChIInChI=1S/C10H20N2O3/c1-9(2,3)10(7-13)6-11-4-5-12(10)8(14)15/h11,13H,4-7H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyAVMWEZDLQGIDQK-SNVBAGLBSA-N
XLogP0.35
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid?
The IUPAC name of (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid (CID 67390466) is (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid?
The canonical SMILES for (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid is CC(C)(C)[C@]1(CO)CNCCN1C(=O)O.
What is the InChIKey of (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid?
The InChIKey is AVMWEZDLQGIDQK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2,3)10(7-13)6-11-4-5-12(10)8(14)15/h11,13H,4-7H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid?
(2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 67390466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).