zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate

C10H16N2O6Zn — CID 68645772

IUPACzinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1NCCC1O.O=C([O-])[C@H]1NCC[C@@H]1O.[Zn+2]
InChIInChI=1S/2C5H9NO3.Zn/c2*7-3-1-2-6-4(3)5(8)9;/h2*3-4,6-7H,1-2H2,(H,8,9);/q;;+2/p-2/t3?,4-;3-,4-;/m00./s1
InChIKeyBHXNRFBZYPUKKS-GWNOTGAUSA-L
MW325.64 g/mol
LogP-5.08
Rot. Bonds2

About zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate

zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate (PubChem CID 68645772) has the molecular formula C10H16N2O6Zn and a molecular weight of 325.64 g/mol. Its IUPAC name is zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namezinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate
PubChem CID68645772
Molecular FormulaC10H16N2O6Zn
Molecular Weight325.64 g/mol
Exact Mass324.03
IUPAC Namezinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1NCCC1O.O=C([O-])[C@H]1NCC[C@@H]1O.[Zn+2]
InChIInChI=1S/2C5H9NO3.Zn/c2*7-3-1-2-6-4(3)5(8)9;/h2*3-4,6-7H,1-2H2,(H,8,9);/q;;+2/p-2/t3?,4-;3-,4-;/m00./s1
InChIKeyBHXNRFBZYPUKKS-GWNOTGAUSA-L
XLogP-5.08
TPSA144.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 5-5.08
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;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate (CID 68645772) is zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate is O=C([O-])[C@H]1NCCC1O.O=C([O-])[C@H]1NCC[C@@H]1O.[Zn+2].
What is the InChIKey of zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate?
The InChIKey is BHXNRFBZYPUKKS-GWNOTGAUSA-L. The full InChI is InChI=1S/2C5H9NO3.Zn/c2*7-3-1-2-6-4(3)5(8)9;/h2*3-4,6-7H,1-2H2,(H,8,9);/q;;+2/p-2/t3?,4-;3-,4-;/m00./s1.
What are the key properties of zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate?
zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate has a molecular weight of 325.64 g/mol, XLogP of -5.08, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;(2S)-3-hydroxypyrrolidine-2-carboxylate;(2S,3S)-3-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 68645772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).