3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C10H17N3O3 — CID 62849845

IUPAC3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C10H17N3O3/c1-16-7-6-13-8(14)10(12-9(13)15)2-4-11-5-3-10/h11H,2-7H2,1H3,(H,12,15)
InChIKeyVNQQUSIRTCAABP-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.69
Rot. Bonds3

About 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 62849845) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID62849845
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C10H17N3O3/c1-16-7-6-13-8(14)10(12-9(13)15)2-4-11-5-3-10/h11H,2-7H2,1H3,(H,12,15)
InChIKeyVNQQUSIRTCAABP-UHFFFAOYSA-N
XLogP-0.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35422277
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849673
4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 82148969
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
3-[3-(2-methoxyethoxy)propyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 103412224
3-[(3,5-dimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
CID 143811885
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate
CID 59093855
3-[3-(3-aminophenoxy)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755460
1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70728043
3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 82098515

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 62849845) is 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)NC2(CCNCC2)C1=O.
What is the InChIKey of 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VNQQUSIRTCAABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-16-7-6-13-8(14)10(12-9(13)15)2-4-11-5-3-10/h11H,2-7H2,1H3,(H,12,15).
What are the key properties of 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 227.26 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62849845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).