(6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C16H20N4O6 — CID 160974523

IUPAC(6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILESN[C@H]1C(=O)N2C(C(=O)O)=CCC[C@H]12.N[C@H]1C(=O)N2C(C(=O)O)=CCC[C@H]12
InChIInChI=1S/2C8H10N2O3/c2*9-6-4-2-1-3-5(8(12)13)10(4)7(6)11/h2*3-4,6H,1-2,9H2,(H,12,13)/t2*4-,6-/m11/s1
InChIKeySYRNDZVGMYWYQX-FKBLSJJASA-N
MW364.36 g/mol
LogP-1.43
Rot. Bonds2

About (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (PubChem CID 160974523) has the molecular formula C16H20N4O6 and a molecular weight of 364.36 g/mol. Its IUPAC name is (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name(6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
PubChem CID160974523
Molecular FormulaC16H20N4O6
Molecular Weight364.36 g/mol
Exact Mass364.14
IUPAC Name(6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILESN[C@H]1C(=O)N2C(C(=O)O)=CCC[C@H]12.N[C@H]1C(=O)N2C(C(=O)O)=CCC[C@H]12
InChIInChI=1S/2C8H10N2O3/c2*9-6-4-2-1-3-5(8(12)13)10(4)7(6)11/h2*3-4,6H,1-2,9H2,(H,12,13)/t2*4-,6-/m11/s1
InChIKeySYRNDZVGMYWYQX-FKBLSJJASA-N
XLogP-1.43
TPSA167.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The IUPAC name of (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CID 160974523) is (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
What is the SMILES notation for (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The canonical SMILES for (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is N[C@H]1C(=O)N2C(C(=O)O)=CCC[C@H]12.N[C@H]1C(=O)N2C(C(=O)O)=CCC[C@H]12.
What is the InChIKey of (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The InChIKey is SYRNDZVGMYWYQX-FKBLSJJASA-N. The full InChI is InChI=1S/2C8H10N2O3/c2*9-6-4-2-1-3-5(8(12)13)10(4)7(6)11/h2*3-4,6H,1-2,9H2,(H,12,13)/t2*4-,6-/m11/s1.
What are the key properties of (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
(6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid has a molecular weight of 364.36 g/mol, XLogP of -1.43, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is sourced from PubChem (CID 160974523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).