2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride

C15H37ClIrN3O2P3+3 — CID 6334526

IUPAC2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride
SMILESC[PH+](C)C.C[PH+](C)C.C[PH+](C)C.[Cl-].[Ir+3].[NH-]C(Cc1cnc[nH]1)C(=O)[O-]
InChIInChI=1S/C6H8N3O2.3C3H9P.ClH.Ir/c7-5(6(10)11)1-4-2-8-3-9-4;3*1-4(2)3;;/h2-3,5,7H,1H2,(H,8,9)(H,10,11);3*1-3H3;1H;/q-1;;;;;+3/p+1
InChIKeyWLBNROTZVGGLGX-UHFFFAOYSA-O
MW612.07 g/mol
LogP-0.61
Rot. Bonds3

About 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride

2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride (PubChem CID 6334526) has the molecular formula C15H37ClIrN3O2P3+3 and a molecular weight of 612.07 g/mol. Its IUPAC name is 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride.

Molecular Properties

Compound Name2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride
PubChem CID6334526
Molecular FormulaC15H37ClIrN3O2P3+3
Molecular Weight612.07 g/mol
Exact Mass612.14
IUPAC Name2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride
SMILESC[PH+](C)C.C[PH+](C)C.C[PH+](C)C.[Cl-].[Ir+3].[NH-]C(Cc1cnc[nH]1)C(=O)[O-]
InChIInChI=1S/C6H8N3O2.3C3H9P.ClH.Ir/c7-5(6(10)11)1-4-2-8-3-9-4;3*1-4(2)3;;/h2-3,5,7H,1H2,(H,8,9)(H,10,11);3*1-3H3;1H;/q-1;;;;;+3/p+1
InChIKeyWLBNROTZVGGLGX-UHFFFAOYSA-O
XLogP-0.61
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.07
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(1H-imidazol-5-yl)-1-oxoniocarbonylethyl]azanide;iridium(3+);tris(trimethylphosphanium)
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bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
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potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
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[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]azanium
CID 86580368
3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
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CID 59432002
CID 59432002
3-amino-4-(1H-imidazol-5-yl)butan-2-one;ethane
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(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193

Frequently Asked Questions

What is the IUPAC name of 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride?
The IUPAC name of 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride (CID 6334526) is 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride.
What is the SMILES notation for 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride?
The canonical SMILES for 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride is C[PH+](C)C.C[PH+](C)C.C[PH+](C)C.[Cl-].[Ir+3].[NH-]C(Cc1cnc[nH]1)C(=O)[O-].
What is the InChIKey of 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride?
The InChIKey is WLBNROTZVGGLGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N3O2.3C3H9P.ClH.Ir/c7-5(6(10)11)1-4-2-8-3-9-4;3*1-4(2)3;;/h2-3,5,7H,1H2,(H,8,9)(H,10,11);3*1-3H3;1H;/q-1;;;;;+3/p+1.
What are the key properties of 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride?
2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride has a molecular weight of 612.07 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidyl-3-(1H-imidazol-5-yl)propanoate;iridium(3+);tris(trimethylphosphanium);chloride is sourced from PubChem (CID 6334526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).