(5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

C5H8N2O4S — CID 67121365

IUPAC(5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
SMILESO=C1C2NCC[C@H]2N1S(=O)(=O)O
InChIInChI=1S/C5H8N2O4S/c8-5-4-3(1-2-6-4)7(5)12(9,10)11/h3-4,6H,1-2H2,(H,9,10,11)/t3-,4?/m1/s1
InChIKeyREQJVNLCTXHOHL-SYPWQXSBSA-N
MW192.20 g/mol
LogP-1.64
Rot. Bonds1

About (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

(5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid (PubChem CID 67121365) has the molecular formula C5H8N2O4S and a molecular weight of 192.20 g/mol. Its IUPAC name is (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid.

Molecular Properties

Compound Name(5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
PubChem CID67121365
Molecular FormulaC5H8N2O4S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Name(5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
SMILESO=C1C2NCC[C@H]2N1S(=O)(=O)O
InChIInChI=1S/C5H8N2O4S/c8-5-4-3(1-2-6-4)7(5)12(9,10)11/h3-4,6H,1-2H2,(H,9,10,11)/t3-,4?/m1/s1
InChIKeyREQJVNLCTXHOHL-SYPWQXSBSA-N
XLogP-1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
The IUPAC name of (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid (CID 67121365) is (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid.
What is the SMILES notation for (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
The canonical SMILES for (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid is O=C1C2NCC[C@H]2N1S(=O)(=O)O.
What is the InChIKey of (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
The InChIKey is REQJVNLCTXHOHL-SYPWQXSBSA-N. The full InChI is InChI=1S/C5H8N2O4S/c8-5-4-3(1-2-6-4)7(5)12(9,10)11/h3-4,6H,1-2H2,(H,9,10,11)/t3-,4?/m1/s1.
What are the key properties of (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
(5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid has a molecular weight of 192.20 g/mol, XLogP of -1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid is sourced from PubChem (CID 67121365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).