methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride

C8H16ClNO2 — CID 166270818

IUPACmethyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
SMILESCOC(=O)CC1CNC(C)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-3-7(5-9-6)4-8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyRHUDXBHGQNBRHA-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.97
Rot. Bonds2

About methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride

methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride (PubChem CID 166270818) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
PubChem CID166270818
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
SMILESCOC(=O)CC1CNC(C)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-3-7(5-9-6)4-8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyRHUDXBHGQNBRHA-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5-methylpyrrolidin-3-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-(5-methylpyrrolidin-3-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride (CID 166270818) is methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride is COC(=O)CC1CNC(C)C1.Cl.
What is the InChIKey of methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride?
The InChIKey is RHUDXBHGQNBRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-6-3-7(5-9-6)4-8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H.
What are the key properties of methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride?
methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride is sourced from PubChem (CID 166270818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).