actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

C10H18AcNO2- — CID 59116554

IUPACactinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILES[Ac].[CH2-]N1C[C@H](O)C[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H18NO2.Ac/c1-10(2,3)9(13)8-5-7(12)6-11(8)4;/h7-8,12H,4-6H2,1-3H3;/q-1;/t7-,8+;/m1./s1
InChIKeyMZUCGNNOGDTZTG-WLYNEOFISA-N
MW411.26 g/mol
LogP0.83
Rot. Bonds1

About actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 59116554) has the molecular formula C10H18AcNO2- and a molecular weight of 411.26 g/mol. Its IUPAC name is actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Nameactinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID59116554
Molecular FormulaC10H18AcNO2-
Molecular Weight411.26 g/mol
Exact Mass411.16
IUPAC Nameactinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILES[Ac].[CH2-]N1C[C@H](O)C[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H18NO2.Ac/c1-10(2,3)9(13)8-5-7(12)6-11(8)4;/h7-8,12H,4-6H2,1-3H3;/q-1;/t7-,8+;/m1./s1
InChIKeyMZUCGNNOGDTZTG-WLYNEOFISA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (CID 59116554) is actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is [Ac].[CH2-]N1C[C@H](O)C[C@H]1C(=O)C(C)(C)C.
What is the InChIKey of actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is MZUCGNNOGDTZTG-WLYNEOFISA-N. The full InChI is InChI=1S/C10H18NO2.Ac/c1-10(2,3)9(13)8-5-7(12)6-11(8)4;/h7-8,12H,4-6H2,1-3H3;/q-1;/t7-,8+;/m1./s1.
What are the key properties of actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 411.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-[(2S,4R)-4-hydroxy-1-methanidylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59116554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).