zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate

C10H11NO4Zn — CID 56589537

IUPACzinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate
SMILESC/C(=N\CC(=O)[O-])c1ccccc1[O-].O.[Zn+2]
InChIInChI=1S/C10H11NO3.H2O.Zn/c1-7(11-6-10(13)14)8-4-2-3-5-9(8)12;;/h2-5,12H,6H2,1H3,(H,13,14);1H2;/q;;+2/p-2/b11-7+;;
InChIKeyGNTDFQLPXDRKGI-FCVAESPPSA-L
MW274.59 g/mol
LogP-1.51
Rot. Bonds3

About zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate

zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate (PubChem CID 56589537) has the molecular formula C10H11NO4Zn and a molecular weight of 274.59 g/mol. Its IUPAC name is zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate.

Molecular Properties

Compound Namezinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate
PubChem CID56589537
Molecular FormulaC10H11NO4Zn
Molecular Weight274.59 g/mol
Exact Mass273.00
IUPAC Namezinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate
SMILESC/C(=N\CC(=O)[O-])c1ccccc1[O-].O.[Zn+2]
InChIInChI=1S/C10H11NO3.H2O.Zn/c1-7(11-6-10(13)14)8-4-2-3-5-9(8)12;;/h2-5,12H,6H2,1H3,(H,13,14);1H2;/q;;+2/p-2/b11-7+;;
InChIKeyGNTDFQLPXDRKGI-FCVAESPPSA-L
XLogP-1.51
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[C-methyl-N-[3-[1-(2-oxidophenyl)ethylideneamino]propyl]carbonimidoyl]phenolate
CID 101473488
dicopper;zinc;cyanoiminomethylideneazanide;bis(2-[C-methyl-N-[3-[1-(2-oxidophenyl)ethylideneamino]propyl]carbonimidoyl]phenolate)
CID 139198096
2-carboxyphenolate carbonate
CID 54676053
magnesium;bis(2-carboxyphenolate);trihydrate
CID 172729284
copper;2-aminoacetate;2-carboxyphenolate
CID 54741776
2-carboxyphenolate;ethane;methane
CID 158005371
trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151
triazanium;tris(2-carboxyphenolate)
CID 172802459
copper bis(2-carboxyphenolate)
CID 54683201
2-carboxyphenolate;gold(1+)
CID 54682314
potassium 2-carboxyphenolate
CID 23689489
dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180

Frequently Asked Questions

What is the IUPAC name of zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate?
The IUPAC name of zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate (CID 56589537) is zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate.
What is the SMILES notation for zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate?
The canonical SMILES for zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate is C/C(=N\CC(=O)[O-])c1ccccc1[O-].O.[Zn+2].
What is the InChIKey of zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate?
The InChIKey is GNTDFQLPXDRKGI-FCVAESPPSA-L. The full InChI is InChI=1S/C10H11NO3.H2O.Zn/c1-7(11-6-10(13)14)8-4-2-3-5-9(8)12;;/h2-5,12H,6H2,1H3,(H,13,14);1H2;/q;;+2/p-2/b11-7+;;.
What are the key properties of zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate?
zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate has a molecular weight of 274.59 g/mol, XLogP of -1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate is sourced from PubChem (CID 56589537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).