(3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone

C9H16N2O2 — CID 164660908

IUPAC(3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)C2CC(N)C2)C1
InChIInChI=1S/C9H16N2O2/c1-13-8-4-11(5-8)9(12)6-2-7(10)3-6/h6-8H,2-5,10H2,1H3
InChIKeyQNUPHHSZYZITIG-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.42
Rot. Bonds2

About (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone

(3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone (PubChem CID 164660908) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone
PubChem CID164660908
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)C2CC(N)C2)C1
InChIInChI=1S/C9H16N2O2/c1-13-8-4-11(5-8)9(12)6-2-7(10)3-6/h6-8H,2-5,10H2,1H3
InChIKeyQNUPHHSZYZITIG-UHFFFAOYSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 164660918
(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532843
(9-amino-3-bicyclo[3.3.1]nonanyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 120991765
(3-aminocyclobutyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 164653176
[4-(dimethylamino)piperidin-1-yl]-(3-methoxycyclobutyl)methanone
CID 154866121
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
(3-aminocyclopentyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217532
1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 118084446
(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536713
(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129362673
(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958585
ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate
CID 107877740

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone (CID 164660908) is (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone is COC1CN(C(=O)C2CC(N)C2)C1.
What is the InChIKey of (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone?
The InChIKey is QNUPHHSZYZITIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-8-4-11(5-8)9(12)6-2-7(10)3-6/h6-8H,2-5,10H2,1H3.
What are the key properties of (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone?
(3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone has a molecular weight of 184.24 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone is sourced from PubChem (CID 164660908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).