3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one

C15H28N2O3 — CID 120501516

IUPAC3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
SMILESCCOC1CC(O)C12CCN(C(=O)C(C)C(C)N)CC2
InChIInChI=1S/C15H28N2O3/c1-4-20-13-9-12(18)15(13)5-7-17(8-6-15)14(19)10(2)11(3)16/h10-13,18H,4-9,16H2,1-3H3
InChIKeyWNLHFGRJNZPYON-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.75
Rot. Bonds4

About 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one

3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one (PubChem CID 120501516) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
PubChem CID120501516
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
SMILESCCOC1CC(O)C12CCN(C(=O)C(C)C(C)N)CC2
InChIInChI=1S/C15H28N2O3/c1-4-20-13-9-12(18)15(13)5-7-17(8-6-15)14(19)10(2)11(3)16/h10-13,18H,4-9,16H2,1-3H3
InChIKeyWNLHFGRJNZPYON-UHFFFAOYSA-N
XLogP0.75
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
4-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 120563308
(2S)-2-amino-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-phenylpropan-1-one
CID 125134162
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364
(E)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-ethylbut-2-en-1-one
CID 124744176
2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide
CID 111457232
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-ethylbut-2-en-1-one
CID 126799817
2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide
CID 111458852
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119801192

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one?
The IUPAC name of 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one (CID 120501516) is 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one is CCOC1CC(O)C12CCN(C(=O)C(C)C(C)N)CC2.
What is the InChIKey of 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one?
The InChIKey is WNLHFGRJNZPYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-20-13-9-12(18)15(13)5-7-17(8-6-15)14(19)10(2)11(3)16/h10-13,18H,4-9,16H2,1-3H3.
What are the key properties of 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one?
3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one has a molecular weight of 284.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one is sourced from PubChem (CID 120501516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).