sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

C7H7N2NaO3 — CID 131715744

IUPACsodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESNC1=C(C(=O)[O-])N2C(=O)C[C@H]2C1.[Na+]
InChIInChI=1S/C7H8N2O3.Na/c8-4-1-3-2-5(10)9(3)6(4)7(11)12;/h3H,1-2,8H2,(H,11,12);/q;+1/p-1/t3-;/m1./s1
InChIKeyHYUJVRARTRXZGC-AENDTGMFSA-M
MW190.13 g/mol
LogP-5.08
Rot. Bonds1

About sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (PubChem CID 131715744) has the molecular formula C7H7N2NaO3 and a molecular weight of 190.13 g/mol. Its IUPAC name is sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

Molecular Properties

Compound Namesodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
PubChem CID131715744
Molecular FormulaC7H7N2NaO3
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Namesodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESNC1=C(C(=O)[O-])N2C(=O)C[C@H]2C1.[Na+]
InChIInChI=1S/C7H8N2O3.Na/c8-4-1-3-2-5(10)9(3)6(4)7(11)12;/h3H,1-2,8H2,(H,11,12);/q;+1/p-1/t3-;/m1./s1
InChIKeyHYUJVRARTRXZGC-AENDTGMFSA-M
XLogP-5.08
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 5-5.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The IUPAC name of sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CID 131715744) is sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.
What is the SMILES notation for sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The canonical SMILES for sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is NC1=C(C(=O)[O-])N2C(=O)C[C@H]2C1.[Na+].
What is the InChIKey of sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The InChIKey is HYUJVRARTRXZGC-AENDTGMFSA-M. The full InChI is InChI=1S/C7H8N2O3.Na/c8-4-1-3-2-5(10)9(3)6(4)7(11)12;/h3H,1-2,8H2,(H,11,12);/q;+1/p-1/t3-;/m1./s1.
What are the key properties of sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate has a molecular weight of 190.13 g/mol, XLogP of -5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (5R)-3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is sourced from PubChem (CID 131715744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).