actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one

C11H22AcN2O2 — CID 59884006

IUPACactinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)C[C@@H]1N[C@@H](CC(C)C)N(O)C1=O.[Ac]
InChIInChI=1S/C11H22N2O2.Ac/c1-7(2)5-9-11(14)13(15)10(12-9)6-8(3)4;/h7-10,12,15H,5-6H2,1-4H3;/t9-,10+;/m0./s1
InChIKeyWVDIAUJNTCQNBM-BAUSSPIASA-N
MW441.31 g/mol
LogP1.59
Rot. Bonds4

About actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one

actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one (PubChem CID 59884006) has the molecular formula C11H22AcN2O2 and a molecular weight of 441.31 g/mol. Its IUPAC name is actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Nameactinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one
PubChem CID59884006
Molecular FormulaC11H22AcN2O2
Molecular Weight441.31 g/mol
Exact Mass441.20
IUPAC Nameactinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)C[C@@H]1N[C@@H](CC(C)C)N(O)C1=O.[Ac]
InChIInChI=1S/C11H22N2O2.Ac/c1-7(2)5-9-11(14)13(15)10(12-9)6-8(3)4;/h7-10,12,15H,5-6H2,1-4H3;/t9-,10+;/m0./s1
InChIKeyWVDIAUJNTCQNBM-BAUSSPIASA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83255978
3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83254863
3-(2-methoxy-2-methylpropyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 104767759
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
3-[(1-methylcyclopentyl)methyl]-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83262725
2,5-bis(2-methylpropyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
CID 106433344
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
3-[2-(dimethylamino)ethyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83251512
3-(2,2-dicyclopropylethyl)-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83259329
5-(2-methylpropyl)-2-propyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83271295
5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83243202
5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260459

Frequently Asked Questions

What is the IUPAC name of actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one (CID 59884006) is actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one is CC(C)C[C@@H]1N[C@@H](CC(C)C)N(O)C1=O.[Ac].
What is the InChIKey of actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one?
The InChIKey is WVDIAUJNTCQNBM-BAUSSPIASA-N. The full InChI is InChI=1S/C11H22N2O2.Ac/c1-7(2)5-9-11(14)13(15)10(12-9)6-8(3)4;/h7-10,12,15H,5-6H2,1-4H3;/t9-,10+;/m0./s1.
What are the key properties of actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one?
actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one has a molecular weight of 441.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(2R,5S)-3-hydroxy-2,5-bis(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 59884006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).