[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone

C11H20N2O2 — CID 144942209

IUPAC[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCC[C@@]1(C)CCN(C(=O)N2CC(O)C2)C1
InChIInChI=1S/C11H20N2O2/c1-3-11(2)4-5-12(8-11)10(15)13-6-9(14)7-13/h9,14H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyCBIBHCTVHZXBLX-NSHDSACASA-N
MW212.29 g/mol
LogP0.90
Rot. Bonds1

About [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone

[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 144942209) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID144942209
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCC[C@@]1(C)CCN(C(=O)N2CC(O)C2)C1
InChIInChI=1S/C11H20N2O2/c1-3-11(2)4-5-12(8-11)10(15)13-6-9(14)7-13/h9,14H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyCBIBHCTVHZXBLX-NSHDSACASA-N
XLogP0.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 144942209) is [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone is CC[C@@]1(C)CCN(C(=O)N2CC(O)C2)C1.
What is the InChIKey of [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is CBIBHCTVHZXBLX-NSHDSACASA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-11(2)4-5-12(8-11)10(15)13-6-9(14)7-13/h9,14H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone?
[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 144942209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).