copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid

C12H15ClCuN4O6 — CID 139240341

IUPACcopper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid
SMILESO=C(O)C(Cc1cnc[nH]1)NCc1ccccn1.[Cu].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C12H14N4O2.ClHO4.Cu/c17-12(18)11(5-10-6-13-8-16-10)15-7-9-3-1-2-4-14-9;2-1(3,4)5;/h1-4,6,8,11,15H,5,7H2,(H,13,16)(H,17,18);(H,2,3,4,5);
InChIKeyQOKYGLHWNUCSPH-UHFFFAOYSA-N
MW410.27 g/mol
LogP-3.54
Rot. Bonds6

About copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid

copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid (PubChem CID 139240341) has the molecular formula C12H15ClCuN4O6 and a molecular weight of 410.27 g/mol. Its IUPAC name is copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid.

Molecular Properties

Compound Namecopper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid
PubChem CID139240341
Molecular FormulaC12H15ClCuN4O6
Molecular Weight410.27 g/mol
Exact Mass409.00
IUPAC Namecopper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid
SMILESO=C(O)C(Cc1cnc[nH]1)NCc1ccccn1.[Cu].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C12H14N4O2.ClHO4.Cu/c17-12(18)11(5-10-6-13-8-16-10)15-7-9-3-1-2-4-14-9;2-1(3,4)5;/h1-4,6,8,11,15H,5,7H2,(H,13,16)(H,17,18);(H,2,3,4,5);
InChIKeyQOKYGLHWNUCSPH-UHFFFAOYSA-N
XLogP-3.54
TPSA180.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 5-3.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid?
The IUPAC name of copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid (CID 139240341) is copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid.
What is the SMILES notation for copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid?
The canonical SMILES for copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid is O=C(O)C(Cc1cnc[nH]1)NCc1ccccn1.[Cu].[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid?
The InChIKey is QOKYGLHWNUCSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.ClHO4.Cu/c17-12(18)11(5-10-6-13-8-16-10)15-7-9-3-1-2-4-14-9;2-1(3,4)5;/h1-4,6,8,11,15H,5,7H2,(H,13,16)(H,17,18);(H,2,3,4,5);.
What are the key properties of copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid?
copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid has a molecular weight of 410.27 g/mol, XLogP of -3.54, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid;perchloric acid is sourced from PubChem (CID 139240341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).