3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid

C9H18N2O3 — CID 68663877

IUPAC3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid
SMILESCC(C)(O)CC1CN(C(=O)O)CCN1
InChIInChI=1S/C9H18N2O3/c1-9(2,14)5-7-6-11(8(12)13)4-3-10-7/h7,10,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyHWNOGSUOCOODPC-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.10
Rot. Bonds2

About 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid

3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid (PubChem CID 68663877) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid
PubChem CID68663877
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid
SMILESCC(C)(O)CC1CN(C(=O)O)CCN1
InChIInChI=1S/C9H18N2O3/c1-9(2,14)5-7-6-11(8(12)13)4-3-10-7/h7,10,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyHWNOGSUOCOODPC-UHFFFAOYSA-N
XLogP0.10
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2-hydroxy-2-methylpropyl)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 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid?
The IUPAC name of 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid (CID 68663877) is 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid?
The canonical SMILES for 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid is CC(C)(O)CC1CN(C(=O)O)CCN1.
What is the InChIKey of 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid?
The InChIKey is HWNOGSUOCOODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,14)5-7-6-11(8(12)13)4-3-10-7/h7,10,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid?
3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 68663877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).