copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate

C13H19CuNO5 — CID 5255158

IUPACcopper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate
SMILESCOc1cccc(/C=N/C(C(=O)O)C(C)C)c1O.O.[Cu]
InChIInChI=1S/C13H17NO4.Cu.H2O/c1-8(2)11(13(16)17)14-7-9-5-4-6-10(18-3)12(9)15;;/h4-8,11,15H,1-3H3,(H,16,17);;1H2/b14-7+;;
InChIKeyCEHRFFMQUZWSPR-MOEKMLTRSA-N
MW332.84 g/mol
LogP1.10
Rot. Bonds5

About copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate

copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate (PubChem CID 5255158) has the molecular formula C13H19CuNO5 and a molecular weight of 332.84 g/mol. Its IUPAC name is copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate.

Molecular Properties

Compound Namecopper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate
PubChem CID5255158
Molecular FormulaC13H19CuNO5
Molecular Weight332.84 g/mol
Exact Mass332.06
IUPAC Namecopper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate
SMILESCOc1cccc(/C=N/C(C(=O)O)C(C)C)c1O.O.[Cu]
InChIInChI=1S/C13H17NO4.Cu.H2O/c1-8(2)11(13(16)17)14-7-9-5-4-6-10(18-3)12(9)15;;/h4-8,11,15H,1-3H3,(H,16,17);;1H2/b14-7+;;
InChIKeyCEHRFFMQUZWSPR-MOEKMLTRSA-N
XLogP1.10
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methylpentanoate
CID 135597963
methyl (2S)-2-[(2-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 11482060
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]iminomethyl]-6-methoxyphenol
CID 136861229
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
(2S)-2-[(2-formylphenyl)methylideneamino]-3-methylbutanoic acid
CID 138964075
2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol
CID 140610697
methyl (3S)-3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylpropanoate
CID 135618382
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[[2-(2,6-dimethoxyphenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-3-methylbutanoic acid
CID 135590546
(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
CID 137275710
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387

Frequently Asked Questions

What is the IUPAC name of copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate?
The IUPAC name of copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate (CID 5255158) is copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate.
What is the SMILES notation for copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate?
The canonical SMILES for copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate is COc1cccc(/C=N/C(C(=O)O)C(C)C)c1O.O.[Cu].
What is the InChIKey of copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate?
The InChIKey is CEHRFFMQUZWSPR-MOEKMLTRSA-N. The full InChI is InChI=1S/C13H17NO4.Cu.H2O/c1-8(2)11(13(16)17)14-7-9-5-4-6-10(18-3)12(9)15;;/h4-8,11,15H,1-3H3,(H,16,17);;1H2/b14-7+;;.
What are the key properties of copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate?
copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate has a molecular weight of 332.84 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanoic acid;hydrate is sourced from PubChem (CID 5255158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).