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

C11H22N2O3 — CID 22480199

IUPAC2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid
SMILESCC(O)N1CCNCC1(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(14)13-6-5-12-7-11(13,9(15)16)10(2,3)4/h8,12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyXNNKYDQBECYSEB-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.10
Rot. Bonds2

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

2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid (PubChem CID 22480199) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid
PubChem CID22480199
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid
SMILESCC(O)N1CCNCC1(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(14)13-6-5-12-7-11(13,9(15)16)10(2,3)4/h8,12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyXNNKYDQBECYSEB-UHFFFAOYSA-N
XLogP0.10
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-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-1-(1-hydroxyethyl)piperazine-2-carboxylic acid?
The IUPAC name of 2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid (CID 22480199) is 2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid?
The canonical SMILES for 2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid is CC(O)N1CCNCC1(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid?
The InChIKey is XNNKYDQBECYSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(14)13-6-5-12-7-11(13,9(15)16)10(2,3)4/h8,12,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid?
2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid has a molecular weight of 230.31 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(1-hydroxyethyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 22480199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).