4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one

C12H22N2O2 — CID 120563784

IUPAC4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCC2(CCOC2)C1
InChIInChI=1S/C12H22N2O2/c1-10(13)2-3-11(15)14-6-4-12(8-14)5-7-16-9-12/h10H,2-9,13H2,1H3
InChIKeyYFGJJWXLKQHDBN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds3

About 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one

4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one (PubChem CID 120563784) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
PubChem CID120563784
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CCC2(CCOC2)C1
InChIInChI=1S/C12H22N2O2/c1-10(13)2-3-11(15)14-6-4-12(8-14)5-7-16-9-12/h10H,2-9,13H2,1H3
InChIKeyYFGJJWXLKQHDBN-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride
CID 119801721
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
3-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 91659823
(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one
CID 99850208
4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one
CID 166169448
4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
CID 116991427
3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 119813640
3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one
CID 120502174
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
CID 114279188
2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
CID 71854849
2-(3-methyl-4-propan-2-ylphenoxy)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 99697772

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one (CID 120563784) is 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one is CC(N)CCC(=O)N1CCC2(CCOC2)C1.
What is the InChIKey of 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one?
The InChIKey is YFGJJWXLKQHDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(13)2-3-11(15)14-6-4-12(8-14)5-7-16-9-12/h10H,2-9,13H2,1H3.
What are the key properties of 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one?
4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one is sourced from PubChem (CID 120563784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).