2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone

C13H23NO3 — CID 114950415

IUPAC2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone
SMILESCN(CC(=O)C1CCOC1)CC1(O)CCCC1
InChIInChI=1S/C13H23NO3/c1-14(10-13(16)5-2-3-6-13)8-12(15)11-4-7-17-9-11/h11,16H,2-10H2,1H3
InChIKeyAPMIGBASBYDNKT-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.83
Rot. Bonds5

About 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone

2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone (PubChem CID 114950415) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone
PubChem CID114950415
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone
SMILESCN(CC(=O)C1CCOC1)CC1(O)CCCC1
InChIInChI=1S/C13H23NO3/c1-14(10-13(16)5-2-3-6-13)8-12(15)11-4-7-17-9-11/h11,16H,2-10H2,1H3
InChIKeyAPMIGBASBYDNKT-UHFFFAOYSA-N
XLogP0.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone 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-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone (CID 114950415) is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone is CN(CC(=O)C1CCOC1)CC1(O)CCCC1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone?
The InChIKey is APMIGBASBYDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-14(10-13(16)5-2-3-6-13)8-12(15)11-4-7-17-9-11/h11,16H,2-10H2,1H3.
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone?
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 114950415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).