2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone

C12H22N2O2 — CID 107219978

IUPAC2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone
SMILESCCCC1(O)CN(C(=O)CC2(N)CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-4-12(16)8-14(9-12)10(15)7-11(13)5-3-6-11/h16H,2-9,13H2,1H3
InChIKeyQCFPWBDQDBXTGY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.63
Rot. Bonds4

About 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone

2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone (PubChem CID 107219978) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone
PubChem CID107219978
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone
SMILESCCCC1(O)CN(C(=O)CC2(N)CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-4-12(16)8-14(9-12)10(15)7-11(13)5-3-6-11/h16H,2-9,13H2,1H3
InChIKeyQCFPWBDQDBXTGY-UHFFFAOYSA-N
XLogP0.63
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219940
[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219838
4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one
CID 107219960
3-chloro-1-(3-hydroxy-3-propylazetidin-1-yl)propan-1-one
CID 107216677
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79854762
2-(1-aminocyclopentyl)-1-(4-propylpiperidin-1-yl)ethanone
CID 64677432
(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 81450881
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
1-(3-hydroxy-3-propylazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603201
4-(3-hydroxy-3-propylazetidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 107214583
2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217667

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone (CID 107219978) is 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone is CCCC1(O)CN(C(=O)CC2(N)CCC2)C1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone?
The InChIKey is QCFPWBDQDBXTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-4-12(16)8-14(9-12)10(15)7-11(13)5-3-6-11/h16H,2-9,13H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone?
2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone is sourced from PubChem (CID 107219978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).