2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone

C12H16N2O2 — CID 121200257

IUPAC2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CC(N)C2)c1
InChIInChI=1S/C12H16N2O2/c1-16-11-4-2-3-9(5-11)12(15)8-14-6-10(13)7-14/h2-5,10H,6-8,13H2,1H3
InChIKeyZBNRLKRIPUNSDD-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.52
Rot. Bonds4

About 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone

2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone (PubChem CID 121200257) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone
PubChem CID121200257
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CN2CC(N)C2)c1
InChIInChI=1S/C12H16N2O2/c1-16-11-4-2-3-9(5-11)12(15)8-14-6-10(13)7-14/h2-5,10H,6-8,13H2,1H3
InChIKeyZBNRLKRIPUNSDD-UHFFFAOYSA-N
XLogP0.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56828695
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56829037
4-[2-(3-methoxyphenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82121920
3-[2-(3-methoxyphenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835683
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220971
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone (CID 121200257) is 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CN2CC(N)C2)c1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone?
The InChIKey is ZBNRLKRIPUNSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11-4-2-3-9(5-11)12(15)8-14-6-10(13)7-14/h2-5,10H,6-8,13H2,1H3.
What are the key properties of 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone?
2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 121200257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).