zinc bis((2S)-5-oxopyrrolidine-2-carboxylate)

C10H12N2O6Zn — CID 11602214

IUPACzinc bis((2S)-5-oxopyrrolidine-2-carboxylate)
SMILESO=C1CC[C@@H](C(=O)[O-])N1.O=C1CC[C@@H](C(=O)[O-])N1.[Zn+2]
InChIInChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/m00./s1
InChIKeyOWVLYQRCCIEOPF-QHTZZOMLSA-L
MW321.60 g/mol
LogP-3.97
Rot. Bonds2

About zinc bis((2S)-5-oxopyrrolidine-2-carboxylate)

zinc bis((2S)-5-oxopyrrolidine-2-carboxylate) (PubChem CID 11602214) has the molecular formula C10H12N2O6Zn and a molecular weight of 321.60 g/mol. Its IUPAC name is zinc bis((2S)-5-oxopyrrolidine-2-carboxylate).

Molecular Properties

Compound Namezinc bis((2S)-5-oxopyrrolidine-2-carboxylate)
PubChem CID11602214
Molecular FormulaC10H12N2O6Zn
Molecular Weight321.60 g/mol
Exact Mass320.00
IUPAC Namezinc bis((2S)-5-oxopyrrolidine-2-carboxylate)
SMILESO=C1CC[C@@H](C(=O)[O-])N1.O=C1CC[C@@H](C(=O)[O-])N1.[Zn+2]
InChIInChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/m00./s1
InChIKeyOWVLYQRCCIEOPF-QHTZZOMLSA-L
XLogP-3.97
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 5-3.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-5-oxopyrrolidine-2-carboxylate)?
The IUPAC name of zinc bis((2S)-5-oxopyrrolidine-2-carboxylate) (CID 11602214) is zinc bis((2S)-5-oxopyrrolidine-2-carboxylate).
What is the SMILES notation for zinc bis((2S)-5-oxopyrrolidine-2-carboxylate)?
The canonical SMILES for zinc bis((2S)-5-oxopyrrolidine-2-carboxylate) is O=C1CC[C@@H](C(=O)[O-])N1.O=C1CC[C@@H](C(=O)[O-])N1.[Zn+2].
What is the InChIKey of zinc bis((2S)-5-oxopyrrolidine-2-carboxylate)?
The InChIKey is OWVLYQRCCIEOPF-QHTZZOMLSA-L. The full InChI is InChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/m00./s1.
What are the key properties of zinc bis((2S)-5-oxopyrrolidine-2-carboxylate)?
zinc bis((2S)-5-oxopyrrolidine-2-carboxylate) has a molecular weight of 321.60 g/mol, XLogP of -3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((2S)-5-oxopyrrolidine-2-carboxylate) is sourced from PubChem (CID 11602214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).