actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide

C13H23AcN4O2- — CID 59063044

IUPACactinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1C=C(C(=O)O)C[C@H]1N=C(N)N.[Ac]
InChIInChI=1S/C13H23N4O2.Ac/c1-3-7(4-2)11(14)9-5-8(12(18)19)6-10(9)17-13(15)16;/h5,7,9-11,14H,3-4,6H2,1-2H3,(H,18,19)(H4,15,16,17);/q-1;/t9-,10-,11?;/m1./s1
InChIKeyOCHHSMRPYXGLHN-MBXAJCBQSA-N
MW494.35 g/mol
LogP1.52
Rot. Bonds6

About actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide

actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide (PubChem CID 59063044) has the molecular formula C13H23AcN4O2- and a molecular weight of 494.35 g/mol. Its IUPAC name is actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide.

Molecular Properties

Compound Nameactinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide
PubChem CID59063044
Molecular FormulaC13H23AcN4O2-
Molecular Weight494.35 g/mol
Exact Mass494.21
IUPAC Nameactinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide
SMILESCCC(CC)C([NH-])[C@@H]1C=C(C(=O)O)C[C@H]1N=C(N)N.[Ac]
InChIInChI=1S/C13H23N4O2.Ac/c1-3-7(4-2)11(14)9-5-8(12(18)19)6-10(9)17-13(15)16;/h5,7,9-11,14H,3-4,6H2,1-2H3,(H,18,19)(H4,15,16,17);/q-1;/t9-,10-,11?;/m1./s1
InChIKeyOCHHSMRPYXGLHN-MBXAJCBQSA-N
XLogP1.52
TPSA125.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide?
The IUPAC name of actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide (CID 59063044) is actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide.
What is the SMILES notation for actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide?
The canonical SMILES for actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide is CCC(CC)C([NH-])[C@@H]1C=C(C(=O)O)C[C@H]1N=C(N)N.[Ac].
What is the InChIKey of actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide?
The InChIKey is OCHHSMRPYXGLHN-MBXAJCBQSA-N. The full InChI is InChI=1S/C13H23N4O2.Ac/c1-3-7(4-2)11(14)9-5-8(12(18)19)6-10(9)17-13(15)16;/h5,7,9-11,14H,3-4,6H2,1-2H3,(H,18,19)(H4,15,16,17);/q-1;/t9-,10-,11?;/m1./s1.
What are the key properties of actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide?
actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide has a molecular weight of 494.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[1-[(1S,5R)-3-carboxy-5-(diaminomethylideneamino)cyclopent-2-en-1-yl]-2-ethylbutyl]azanide is sourced from PubChem (CID 59063044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).