1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone

C10H20N2O3 — CID 112625104

IUPAC1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCC(CO)C1
InChIInChI=1S/C10H20N2O3/c1-15-5-3-11-6-10(14)12-4-2-9(7-12)8-13/h9,11,13H,2-8H2,1H3
InChIKeyZWTBOYIEFOGMEJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.94
Rot. Bonds6

About 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone

1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone (PubChem CID 112625104) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
PubChem CID112625104
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCC(CO)C1
InChIInChI=1S/C10H20N2O3/c1-15-5-3-11-6-10(14)12-4-2-9(7-12)8-13/h9,11,13H,2-8H2,1H3
InChIKeyZWTBOYIEFOGMEJ-UHFFFAOYSA-N
XLogP-0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134
2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
CID 119807853
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 103811077
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone
CID 115739175

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone (CID 112625104) is 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
The InChIKey is ZWTBOYIEFOGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-5-3-11-6-10(14)12-4-2-9(7-12)8-13/h9,11,13H,2-8H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone?
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone has a molecular weight of 216.28 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 112625104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).