(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one

C13H22N2O3 — CID 98895363

IUPAC(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCCOCC(=O)N1CCC[C@@]2(CCNC2=O)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-10-11(16)15-8-3-4-13(6-9-15)5-7-14-12(13)17/h2-10H2,1H3,(H,14,17)/t13-/m1/s1
InChIKeyONIDHKPQIOQLGQ-CYBMUJFWSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds3

About (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one

(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 98895363) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID98895363
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCCOCC(=O)N1CCC[C@@]2(CCNC2=O)CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-10-11(16)15-8-3-4-13(6-9-15)5-7-14-12(13)17/h2-10H2,1H3,(H,14,17)/t13-/m1/s1
InChIKeyONIDHKPQIOQLGQ-CYBMUJFWSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896688
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131653156
(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895110
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
(3R)-1'-(2-ethoxyacetyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718964
2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 135101216
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 98895363) is (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one is CCOCC(=O)N1CCC[C@@]2(CCNC2=O)CC1.
What is the InChIKey of (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is ONIDHKPQIOQLGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-10-11(16)15-8-3-4-13(6-9-15)5-7-14-12(13)17/h2-10H2,1H3,(H,14,17)/t13-/m1/s1.
What are the key properties of (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one?
(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 254.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 98895363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).