2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone

C12H20N2O3 — CID 163492498

IUPAC2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1C[C@@H](OCC(=O)[C@H]2CCCN2)CN1
InChIInChI=1S/C12H20N2O3/c1-8(15)11-5-9(6-14-11)17-7-12(16)10-3-2-4-13-10/h9-11,13-14H,2-7H2,1H3/t9-,10-,11?/m1/s1
InChIKeyCNVWQNYFDFZHAH-DIOIDXFWSA-N
MW240.30 g/mol
LogP-0.36
Rot. Bonds5

About 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone

2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone (PubChem CID 163492498) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone
PubChem CID163492498
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1C[C@@H](OCC(=O)[C@H]2CCCN2)CN1
InChIInChI=1S/C12H20N2O3/c1-8(15)11-5-9(6-14-11)17-7-12(16)10-3-2-4-13-10/h9-11,13-14H,2-7H2,1H3/t9-,10-,11?/m1/s1
InChIKeyCNVWQNYFDFZHAH-DIOIDXFWSA-N
XLogP-0.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-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

Related Compounds

2-propoxy-1-pyrrolidin-2-ylethanone
CID 116547460
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
1-[(2S,4S)-4-hydroxypyrrolidin-2-yl]ethanone;1-[(2R)-4-methoxypyrrolidin-2-yl]ethanone;1-[(2S)-4-methoxypyrrolidin-2-yl]ethanone
CID 91335246
2-cyclopentyl-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 59628860
1-[(2S)-pyrrolidin-2-yl]pent-4-yn-1-one
CID 165468100
(2S,5S)-1,4-diazocane-2,5-dicarboxylic acid
CID 71263287
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone
CID 130596842
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid
CID 45116070
[5-(2-chloroacetyl)pyrrolidin-3-yl] acetate
CID 87095572

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone?
The IUPAC name of 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone (CID 163492498) is 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone is CC(=O)C1C[C@@H](OCC(=O)[C@H]2CCCN2)CN1.
What is the InChIKey of 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone?
The InChIKey is CNVWQNYFDFZHAH-DIOIDXFWSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(15)11-5-9(6-14-11)17-7-12(16)10-3-2-4-13-10/h9-11,13-14H,2-7H2,1H3/t9-,10-,11?/m1/s1.
What are the key properties of 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone?
2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone has a molecular weight of 240.30 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-acetylpyrrolidin-3-yl]oxy-1-[(2R)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 163492498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).