actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide

C13H23AcN2O2- — CID 58633238

IUPACactinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide
SMILESCOC(=O)C1=C[C@@H](C(C)C(C)C)[C@H]([NH-])[C@@H](N)C1.[Ac]
InChIInChI=1S/C13H23N2O2.Ac/c1-7(2)8(3)10-5-9(13(16)17-4)6-11(14)12(10)15;/h5,7-8,10-12,15H,6,14H2,1-4H3;/q-1;/t8?,10-,11-,12-;/m0./s1
InChIKeyQGDZTCWZVCVWBO-RQHDYGCESA-N
MW466.34 g/mol
LogP2.15
Rot. Bonds3

About actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide

actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide (PubChem CID 58633238) has the molecular formula C13H23AcN2O2- and a molecular weight of 466.34 g/mol. Its IUPAC name is actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide.

Molecular Properties

Compound Nameactinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide
PubChem CID58633238
Molecular FormulaC13H23AcN2O2-
Molecular Weight466.34 g/mol
Exact Mass466.20
IUPAC Nameactinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide
SMILESCOC(=O)C1=C[C@@H](C(C)C(C)C)[C@H]([NH-])[C@@H](N)C1.[Ac]
InChIInChI=1S/C13H23N2O2.Ac/c1-7(2)8(3)10-5-9(13(16)17-4)6-11(14)12(10)15;/h5,7-8,10-12,15H,6,14H2,1-4H3;/q-1;/t8?,10-,11-,12-;/m0./s1
InChIKeyQGDZTCWZVCVWBO-RQHDYGCESA-N
XLogP2.15
TPSA76.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide?
The IUPAC name of actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide (CID 58633238) is actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide.
What is the SMILES notation for actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide?
The canonical SMILES for actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide is COC(=O)C1=C[C@@H](C(C)C(C)C)[C@H]([NH-])[C@@H](N)C1.[Ac].
What is the InChIKey of actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide?
The InChIKey is QGDZTCWZVCVWBO-RQHDYGCESA-N. The full InChI is InChI=1S/C13H23N2O2.Ac/c1-7(2)8(3)10-5-9(13(16)17-4)6-11(14)12(10)15;/h5,7-8,10-12,15H,6,14H2,1-4H3;/q-1;/t8?,10-,11-,12-;/m0./s1.
What are the key properties of actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide?
actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide has a molecular weight of 466.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(1S,2R,6S)-6-amino-4-methoxycarbonyl-2-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]azanide is sourced from PubChem (CID 58633238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).