[(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride

C8H16ClNO2 — CID 67027306

IUPAC[(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride
SMILESCN[C@@H]1CCC[C@H]1OC(C)=O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6(10)11-8-5-3-4-7(8)9-2;/h7-9H,3-5H2,1-2H3;1H/t7-,8-;/m1./s1
InChIKeyABZDLBQQAGCUAZ-SCLLHFNJSA-N
MW193.67 g/mol
LogP1.11
Rot. Bonds2

About [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride

[(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride (PubChem CID 67027306) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride.

Molecular Properties

Compound Name[(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride
PubChem CID67027306
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name[(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride
SMILESCN[C@@H]1CCC[C@H]1OC(C)=O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6(10)11-8-5-3-4-7(8)9-2;/h7-9H,3-5H2,1-2H3;1H/t7-,8-;/m1./s1
InChIKeyABZDLBQQAGCUAZ-SCLLHFNJSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride?
The IUPAC name of [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride (CID 67027306) is [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride.
What is the SMILES notation for [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride?
The canonical SMILES for [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride is CN[C@@H]1CCC[C@H]1OC(C)=O.Cl.
What is the InChIKey of [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride?
The InChIKey is ABZDLBQQAGCUAZ-SCLLHFNJSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-6(10)11-8-5-3-4-7(8)9-2;/h7-9H,3-5H2,1-2H3;1H/t7-,8-;/m1./s1.
What are the key properties of [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride?
[(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(methylamino)cyclopentyl] acetate;hydrochloride is sourced from PubChem (CID 67027306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).