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

C10H20N2O3 — CID 77277312

IUPAC2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C1(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)
InChIKeyAVMWEZDLQGIDQK-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.35
Rot. Bonds1

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

2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid (PubChem CID 77277312) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
PubChem CID77277312
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C1(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)
InChIKeyAVMWEZDLQGIDQK-UHFFFAOYSA-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

Analyze 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid (CID 77277312) is 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid is CC(C)(C)C1(CO)CNCCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid?
The InChIKey is AVMWEZDLQGIDQK-UHFFFAOYSA-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).
What are the key properties of 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid?
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 2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 77277312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).