2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone

C11H21NO2 — CID 69170162

IUPAC2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@]1(C)C(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)11(3)6-5-7-12(11)10(13)8-14-4/h9H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyHTMPXQJOEISGRU-NSHDSACASA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone

2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 69170162) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone
PubChem CID69170162
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@]1(C)C(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)11(3)6-5-7-12(11)10(13)8-14-4/h9H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyHTMPXQJOEISGRU-NSHDSACASA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-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-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone (CID 69170162) is 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone is COCC(=O)N1CCC[C@@]1(C)C(C)C.
What is the InChIKey of 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is HTMPXQJOEISGRU-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)11(3)6-5-7-12(11)10(13)8-14-4/h9H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone?
2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 69170162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).