zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate)

C8H12N2O8Zn — CID 56841018

IUPACzinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate)
SMILESN[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1
InChIKeyPOEVDIARYKIEGF-CEOVSRFSSA-L
MW329.58 g/mol
LogP-4.93
Rot. Bonds6

About zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate)

zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate) (PubChem CID 56841018) has the molecular formula C8H12N2O8Zn and a molecular weight of 329.58 g/mol. Its IUPAC name is zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate).

Molecular Properties

Compound Namezinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate)
PubChem CID56841018
Molecular FormulaC8H12N2O8Zn
Molecular Weight329.58 g/mol
Exact Mass327.99
IUPAC Namezinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate)
SMILESN[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1
InChIKeyPOEVDIARYKIEGF-CEOVSRFSSA-L
XLogP-4.93
TPSA206.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 5-4.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate)?
The IUPAC name of zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate) (CID 56841018) is zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate).
What is the SMILES notation for zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate)?
The canonical SMILES for zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate) is N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CC(=O)O)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate)?
The InChIKey is POEVDIARYKIEGF-CEOVSRFSSA-L. The full InChI is InChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1.
What are the key properties of zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate)?
zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate) has a molecular weight of 329.58 g/mol, XLogP of -4.93, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate) is sourced from PubChem (CID 56841018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).