methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride

C7H13ClN2O3 — CID 54759045

IUPACmethyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride
SMILESCOC(=O)CN1CCNCC1=O.Cl
InChIInChI=1S/C7H12N2O3.ClH/c1-12-7(11)5-9-3-2-8-4-6(9)10;/h8H,2-5H2,1H3;1H
InChIKeyGFZKZOXUHOCLBI-UHFFFAOYSA-N
MW208.64 g/mol
LogP-0.99
Rot. Bonds2

About methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride

methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride (PubChem CID 54759045) has the molecular formula C7H13ClN2O3 and a molecular weight of 208.64 g/mol. Its IUPAC name is methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride
PubChem CID54759045
Molecular FormulaC7H13ClN2O3
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC Namemethyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride
SMILESCOC(=O)CN1CCNCC1=O.Cl
InChIInChI=1S/C7H12N2O3.ClH/c1-12-7(11)5-9-3-2-8-4-6(9)10;/h8H,2-5H2,1H3;1H
InChIKeyGFZKZOXUHOCLBI-UHFFFAOYSA-N
XLogP-0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride 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 methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride (CID 54759045) is methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride is COC(=O)CN1CCNCC1=O.Cl.
What is the InChIKey of methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride?
The InChIKey is GFZKZOXUHOCLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3.ClH/c1-12-7(11)5-9-3-2-8-4-6(9)10;/h8H,2-5H2,1H3;1H.
What are the key properties of methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride?
methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride has a molecular weight of 208.64 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride is sourced from PubChem (CID 54759045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).