(3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone

C10H18N2O2 — CID 164651387

IUPAC(3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone
SMILESCNC1CC(C(=O)N2CC(C)(O)C2)C1
InChIInChI=1S/C10H18N2O2/c1-10(14)5-12(6-10)9(13)7-3-8(4-7)11-2/h7-8,11,14H,3-6H2,1-2H3
InChIKeyIXWISGIPPDESBD-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.42
Rot. Bonds2

About (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone

(3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone (PubChem CID 164651387) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone
PubChem CID164651387
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone
SMILESCNC1CC(C(=O)N2CC(C)(O)C2)C1
InChIInChI=1S/C10H18N2O2/c1-10(14)5-12(6-10)9(13)7-3-8(4-7)11-2/h7-8,11,14H,3-6H2,1-2H3
InChIKeyIXWISGIPPDESBD-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219278
2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 107214527
[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945999
(3-hydroxy-3-methylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219224
1-methyl-3-(methylamino)cyclobutan-1-ol
CID 123473933
[(4aR,6S,8aS)-8a-hydroxy-6-(methylamino)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]-cyclopropylmethanone
CID 66554244
[2,2-dimethyl-3-(methylamino)cyclobutyl]-pyrrolidin-1-ylmethanone
CID 90327212
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
[(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone
CID 90327192
2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 112745047
(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone
CID 118473852
cyclobutyl-(3-fluoro-3-methylazetidin-1-yl)methanone
CID 130890914

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone?
The IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone (CID 164651387) is (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone?
The canonical SMILES for (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone is CNC1CC(C(=O)N2CC(C)(O)C2)C1.
What is the InChIKey of (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone?
The InChIKey is IXWISGIPPDESBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(14)5-12(6-10)9(13)7-3-8(4-7)11-2/h7-8,11,14H,3-6H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone?
(3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone has a molecular weight of 198.27 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone is sourced from PubChem (CID 164651387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).