2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid

C8H16N2O3 — CID 2759308

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CCO)CC1
InChIInChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)7-8(12)13/h11H,1-7H2,(H,12,13)
InChIKeyVCEKKKPFXABURR-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.32
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid

2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid (PubChem CID 2759308) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
PubChem CID2759308
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CCO)CC1
InChIInChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)7-8(12)13/h11H,1-7H2,(H,12,13)
InChIKeyVCEKKKPFXABURR-UHFFFAOYSA-N
XLogP-1.32
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic 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-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid (CID 2759308) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid?
The InChIKey is VCEKKKPFXABURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)7-8(12)13/h11H,1-7H2,(H,12,13).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid?
2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid has a molecular weight of 188.23 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 2759308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).