3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C11H19N3O2 — CID 104523226

IUPAC3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)(CN)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-10(2,7-12)14-8(15)11(13-9(14)16)5-3-4-6-11/h3-7,12H2,1-2H3,(H,13,16)
InChIKeyOAWQYKOBTUFBNR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.59
Rot. Bonds2

About 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 104523226) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID104523226
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)(CN)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-10(2,7-12)14-8(15)11(13-9(14)16)5-3-4-6-11/h3-7,12H2,1-2H3,(H,13,16)
InChIKeyOAWQYKOBTUFBNR-UHFFFAOYSA-N
XLogP0.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 104523226) is 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(C)(CN)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is OAWQYKOBTUFBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-10(2,7-12)14-8(15)11(13-9(14)16)5-3-4-6-11/h3-7,12H2,1-2H3,(H,13,16).
What are the key properties of 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 104523226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).