3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

C11H20N2O2 — CID 107219693

IUPAC3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)CCNC2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-11(15)7-13(8-11)10(14)5-6-12-9-3-4-9/h9,12,15H,2-8H2,1H3
InChIKeyXONPQUFHPCMVMN-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.11
Rot. Bonds5

About 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (PubChem CID 107219693) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
PubChem CID107219693
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)CCNC2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-11(15)7-13(8-11)10(14)5-6-12-9-3-4-9/h9,12,15H,2-8H2,1H3
InChIKeyXONPQUFHPCMVMN-UHFFFAOYSA-N
XLogP0.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one
CID 107219691
3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60947240
4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one
CID 107219689
3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
CID 60866002
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
N-cyclopropyl-3-(cyclopropylamino)-N-ethylpropanamide
CID 60841219
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219609
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 107219490
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
1-(4-cyclopentylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one
CID 62368291

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (CID 107219693) is 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is CCC1(O)CN(C(=O)CCNC2CC2)C1.
What is the InChIKey of 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The InChIKey is XONPQUFHPCMVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-11(15)7-13(8-11)10(14)5-6-12-9-3-4-9/h9,12,15H,2-8H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 107219693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).