copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline

C26H19CuN3O4 — CID 139078812

IUPACcopper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline
SMILESO=C([O-])[C@H](CO)N=Cc1c([O-])ccc2ccccc12.[Cu+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H13NO4.C12H8N2.Cu/c16-8-12(14(18)19)15-7-11-10-4-2-1-3-9(10)5-6-13(11)17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-7,12,16-17H,8H2,(H,18,19);1-8H;/q;;+2/p-2/t12-;;/m0../s1
InChIKeyUVFKPSNFGBAODP-LTCKWSDVSA-L
MW501.00 g/mol
LogP2.22
Rot. Bonds4

About copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline

copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline (PubChem CID 139078812) has the molecular formula C26H19CuN3O4 and a molecular weight of 501.00 g/mol. Its IUPAC name is copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline.

Molecular Properties

Compound Namecopper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline
PubChem CID139078812
Molecular FormulaC26H19CuN3O4
Molecular Weight501.00 g/mol
Exact Mass500.07
IUPAC Namecopper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline
SMILESO=C([O-])[C@H](CO)N=Cc1c([O-])ccc2ccccc12.[Cu+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H13NO4.C12H8N2.Cu/c16-8-12(14(18)19)15-7-11-10-4-2-1-3-9(10)5-6-13(11)17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-7,12,16-17H,8H2,(H,18,19);1-8H;/q;;+2/p-2/t12-;;/m0../s1
InChIKeyUVFKPSNFGBAODP-LTCKWSDVSA-L
XLogP2.22
TPSA121.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.00
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline
CID 177066483
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline
CID 139056035
(2,2'-Bipyridine-kappa^2^N,N')[N-(2-oxido-1-naphthylidene)threoninato-kappa^3^O^1^,N,O^2^]copper(II)
CID 139074603
Oxido{N-[(2-oxido-1-naphthyl-kappaO)methylidene]asparaginato-kappa^2^O^1^,N^2^}(1,10-phenanthroline-kappa^2^N,N')vanadium(IV) N,N-dimethylformamide monosolvate
CID 139079877
{N'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10-phenanthroline)copper(II) methanol monosolvate
CID 139082795
(2,2'-Bipyridine-kappa^2^N,N'){N-[(2-oxidonaphthalen-1-yl-kappaO)methylidene]-L-valinato-kappaO}copper(II) trihydrate
CID 139083753
Oxido[N-(2-oxidobenzylidene-kappaO)leucinato-kappa^2^N,O](1,10-phenanthroline-kappa^2^N,N')vanadium(IV)
CID 139084174
{Bis[aqua(1,10-phenanthroline)]zinc(II)}^.^pamoato^.^ monohydrate
CID 168308918
Copper;2-[(2-oxidophenyl)iminomethyl]phenolate;1,10-phenanthroline
CID 168342359
Dioxidanium;cadmium(2+);3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate;bis(1,10-phenanthroline);hydrate
CID 168345038
1-[(2-Oxidophenyl)diazenyl]naphthalen-2-olate;oxygen(2-);1,10-phenanthroline;vanadium(4+)
CID 168349377
1-(1,10-Phenanthrolin-2-yl)naphthalen-2-ol
CID 136094592

Frequently Asked Questions

What is the IUPAC name of copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline?
The IUPAC name of copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline (CID 139078812) is copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline.
What is the SMILES notation for copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline?
The canonical SMILES for copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline is O=C([O-])[C@H](CO)N=Cc1c([O-])ccc2ccccc12.[Cu+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline?
The InChIKey is UVFKPSNFGBAODP-LTCKWSDVSA-L. The full InChI is InChI=1S/C14H13NO4.C12H8N2.Cu/c16-8-12(14(18)19)15-7-11-10-4-2-1-3-9(10)5-6-13(11)17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-7,12,16-17H,8H2,(H,18,19);1-8H;/q;;+2/p-2/t12-;;/m0../s1.
What are the key properties of copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline?
copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline has a molecular weight of 501.00 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(2S)-3-hydroxy-2-[(2-oxidonaphthalen-1-yl)methylideneamino]propanoate;1,10-phenanthroline is sourced from PubChem (CID 139078812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).