[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone

C12H22N2O2 — CID 107219838

IUPAC[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2(CN)CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-4-12(16)8-14(9-12)10(15)11(7-13)5-3-6-11/h16H,2-9,13H2,1H3
InChIKeySZORSAGUTHMZPF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds4

About [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone

[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107219838) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107219838
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2(CN)CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-2-4-12(16)8-14(9-12)10(15)11(7-13)5-3-6-11/h16H,2-9,13H2,1H3
InChIKeySZORSAGUTHMZPF-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
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
2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone
CID 107219978
[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219374
4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one
CID 107219960
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 120803842
[1-(aminomethyl)cyclopentyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355739
[1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107218784
(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 81450881
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404093
(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 107219522
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107219838) is [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)C2(CN)CCC2)C1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is SZORSAGUTHMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-4-12(16)8-14(9-12)10(15)11(7-13)5-3-6-11/h16H,2-9,13H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107219838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).