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

C9H18N2O2 — CID 107219691

IUPAC1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one
SMILESCCC1(O)CN(C(=O)CCNC)C1
InChIInChI=1S/C9H18N2O2/c1-3-9(13)6-11(7-9)8(12)4-5-10-2/h10,13H,3-7H2,1-2H3
InChIKeyQMXSNLNQOAJFCM-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds4

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

1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one (PubChem CID 107219691) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one
PubChem CID107219691
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one
SMILESCCC1(O)CN(C(=O)CCNC)C1
InChIInChI=1S/C9H18N2O2/c1-3-9(13)6-11(7-9)8(12)4-5-10-2/h10,13H,3-7H2,1-2H3
InChIKeyQMXSNLNQOAJFCM-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219693
4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one
CID 107219689
2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 107219490
3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219609
(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 107219676
1-[3-(methylamino)propanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145151
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one
CID 115559774
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one
CID 82696316
3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220129
3-chloro-1-(3-hydroxy-3-propylazetidin-1-yl)propan-1-one
CID 107216677
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107210628

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one (CID 107219691) is 1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one is CCC1(O)CN(C(=O)CCNC)C1.
What is the InChIKey of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one?
The InChIKey is QMXSNLNQOAJFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-9(13)6-11(7-9)8(12)4-5-10-2/h10,13H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one?
1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 107219691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).