4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one

C9H18N2O2 — CID 107219689

IUPAC4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one
SMILESCCC1(O)CN(C(=O)CCCN)C1
InChIInChI=1S/C9H18N2O2/c1-2-9(13)6-11(7-9)8(12)4-3-5-10/h13H,2-7,10H2,1H3
InChIKeyPPERFHHQTXEHSV-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.29
Rot. Bonds4

About 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one

4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one (PubChem CID 107219689) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one
PubChem CID107219689
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one
SMILESCCC1(O)CN(C(=O)CCCN)C1
InChIInChI=1S/C9H18N2O2/c1-2-9(13)6-11(7-9)8(12)4-3-5-10/h13H,2-7,10H2,1H3
InChIKeyPPERFHHQTXEHSV-UHFFFAOYSA-N
XLogP-0.29
TPSA66.56 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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one
CID 107219960
1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one
CID 107219691
6-amino-1-(3,3-difluoroazetidin-1-yl)hexan-1-one
CID 91109495
3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219693
3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219609
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
2-[1-(7-aminoheptanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658134
2-[1-(6-aminohexanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658222
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
CID 55157660
2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 107219490

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one (CID 107219689) is 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one is CCC1(O)CN(C(=O)CCCN)C1.
What is the InChIKey of 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one?
The InChIKey is PPERFHHQTXEHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-9(13)6-11(7-9)8(12)4-3-5-10/h13H,2-7,10H2,1H3.
What are the key properties of 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one?
4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one is sourced from PubChem (CID 107219689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).