azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone

C11H20N2O2 — CID 129495479

IUPACazetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)C2CNC2)C[C@H]1CO
InChIInChI=1S/C11H20N2O2/c1-11(2)7-13(5-9(11)6-14)10(15)8-3-12-4-8/h8-9,12,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyBEZAAVWHCRUJSX-VIFPVBQESA-N
MW212.29 g/mol
LogP-0.32
Rot. Bonds2

About azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone

azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone (PubChem CID 129495479) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone
PubChem CID129495479
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameazetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)C2CNC2)C[C@H]1CO
InChIInChI=1S/C11H20N2O2/c1-11(2)7-13(5-9(11)6-14)10(15)8-3-12-4-8/h8-9,12,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyBEZAAVWHCRUJSX-VIFPVBQESA-N
XLogP-0.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone 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

azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone
CID 130949562
azetidin-3-yl-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219278
azetidin-3-yl-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 121204422
[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129498418
azetidin-3-yl-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone
CID 121202562
azetidin-3-yl-(3-methylazetidin-1-yl)methanone
CID 164653902
azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone
CID 91273926
[3a-(methoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(azetidin-3-yl)methanone
CID 121204364
azetidin-3-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392334
1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318282
azetidin-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50951587
tert-butyl 2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 170756961

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone?
The IUPAC name of azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone (CID 129495479) is azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone?
The canonical SMILES for azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone is CC1(C)CN(C(=O)C2CNC2)C[C@H]1CO.
What is the InChIKey of azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone?
The InChIKey is BEZAAVWHCRUJSX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2)7-13(5-9(11)6-14)10(15)8-3-12-4-8/h8-9,12,14H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone?
azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 129495479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).