(3S)-3-aminooxolane-2,5-dione;zinc

C4H5NO3Zn — CID 174884876

IUPAC(3S)-3-aminooxolane-2,5-dione;zinc
SMILESN[C@H]1CC(=O)OC1=O.[Zn]
InChIInChI=1S/C4H5NO3.Zn/c5-2-1-3(6)8-4(2)7;/h2H,1,5H2;/t2-;/m0./s1
InChIKeyAQBSNUCWNCUWBL-DKWTVANSSA-N
MW180.48 g/mol
LogP-1.22
Rot. Bonds

About (3S)-3-aminooxolane-2,5-dione;zinc

(3S)-3-aminooxolane-2,5-dione;zinc (PubChem CID 174884876) has the molecular formula C4H5NO3Zn and a molecular weight of 180.48 g/mol. Its IUPAC name is (3S)-3-aminooxolane-2,5-dione;zinc.

Molecular Properties

Compound Name(3S)-3-aminooxolane-2,5-dione;zinc
PubChem CID174884876
Molecular FormulaC4H5NO3Zn
Molecular Weight180.48 g/mol
Exact Mass178.96
IUPAC Name(3S)-3-aminooxolane-2,5-dione;zinc
SMILESN[C@H]1CC(=O)OC1=O.[Zn]
InChIInChI=1S/C4H5NO3.Zn/c5-2-1-3(6)8-4(2)7;/h2H,1,5H2;/t2-;/m0./s1
InChIKeyAQBSNUCWNCUWBL-DKWTVANSSA-N
XLogP-1.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.48
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[[(3S)-2,5-dioxooxolan-3-yl]methyl]oxolane-2,5-dione
CID 148818763
(3S,5E)-3-amino-5-ethylideneoxolan-2-one
CID 45078781
(3R)-3-hydroxyoxolane-2,5-dione
CID 118327209
3-[7-(2,5-dioxooxolan-3-yl)heptyl]oxolane-2,5-dione
CID 59893092
3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione
CID 59141604
(3S)-3-amino-3,4-dihydrochromene-2,6,7-trione
CID 131698490
ethane;3-propyloxolane-2,5-dione
CID 143734634
3-tert-butyloxolane-2,5-dione
CID 10820811
3-(3-silylpropyl)oxolane-2,5-dione
CID 149433044
3-(2,5-dioxooxolan-3-yl)oxyalumanyloxyoxolane-2,5-dione
CID 149321706
(3R)-3-amino-6-methylideneoxan-2-one
CID 11094626
3-[2-(methylamino)ethyl]oxolane-2,5-dione
CID 54031250

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminooxolane-2,5-dione;zinc?
The IUPAC name of (3S)-3-aminooxolane-2,5-dione;zinc (CID 174884876) is (3S)-3-aminooxolane-2,5-dione;zinc.
What is the SMILES notation for (3S)-3-aminooxolane-2,5-dione;zinc?
The canonical SMILES for (3S)-3-aminooxolane-2,5-dione;zinc is N[C@H]1CC(=O)OC1=O.[Zn].
What is the InChIKey of (3S)-3-aminooxolane-2,5-dione;zinc?
The InChIKey is AQBSNUCWNCUWBL-DKWTVANSSA-N. The full InChI is InChI=1S/C4H5NO3.Zn/c5-2-1-3(6)8-4(2)7;/h2H,1,5H2;/t2-;/m0./s1.
What are the key properties of (3S)-3-aminooxolane-2,5-dione;zinc?
(3S)-3-aminooxolane-2,5-dione;zinc has a molecular weight of 180.48 g/mol, XLogP of -1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminooxolane-2,5-dione;zinc is sourced from PubChem (CID 174884876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).