sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

C7H8NNaO3 — CID 23693817

IUPACsodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESO=C([O-])[C@H]1CC[C@@H]2CC(=O)N21.[Na+]
InChIInChI=1S/C7H9NO3.Na/c9-6-3-4-1-2-5(7(10)11)8(4)6;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1/t4-,5-;/m1./s1
InChIKeyQUSUNINJKBHEKM-TYSVMGFPSA-M
MW177.13 g/mol
LogP-4.50
Rot. Bonds1

About sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate (PubChem CID 23693817) has the molecular formula C7H8NNaO3 and a molecular weight of 177.13 g/mol. Its IUPAC name is sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate.

Molecular Properties

Compound Namesodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
PubChem CID23693817
Molecular FormulaC7H8NNaO3
Molecular Weight177.13 g/mol
Exact Mass177.04
IUPAC Namesodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESO=C([O-])[C@H]1CC[C@@H]2CC(=O)N21.[Na+]
InChIInChI=1S/C7H9NO3.Na/c9-6-3-4-1-2-5(7(10)11)8(4)6;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1/t4-,5-;/m1./s1
InChIKeyQUSUNINJKBHEKM-TYSVMGFPSA-M
XLogP-4.50
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 5-4.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The IUPAC name of sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate (CID 23693817) is sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate.
What is the SMILES notation for sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The canonical SMILES for sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate is O=C([O-])[C@H]1CC[C@@H]2CC(=O)N21.[Na+].
What is the InChIKey of sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The InChIKey is QUSUNINJKBHEKM-TYSVMGFPSA-M. The full InChI is InChI=1S/C7H9NO3.Na/c9-6-3-4-1-2-5(7(10)11)8(4)6;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1/t4-,5-;/m1./s1.
What are the key properties of sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate?
sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate has a molecular weight of 177.13 g/mol, XLogP of -4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate is sourced from PubChem (CID 23693817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).