(5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C7H6N4O3 — CID 154479107

IUPAC(5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILES[N-]=[N+]=NC1=C(C(=O)O)N2C(=O)C[C@H]2C1
InChIInChI=1S/C7H6N4O3/c8-10-9-4-1-3-2-5(12)11(3)6(4)7(13)14/h3H,1-2H2,(H,13,14)/t3-/m1/s1
InChIKeyOCUYRUDFPDKPRQ-GSVOUGTGSA-N
MW194.15 g/mol
LogP0.60
Rot. Bonds2

About (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 154479107) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name(5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID154479107
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name(5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILES[N-]=[N+]=NC1=C(C(=O)O)N2C(=O)C[C@H]2C1
InChIInChI=1S/C7H6N4O3/c8-10-9-4-1-3-2-5(12)11(3)6(4)7(13)14/h3H,1-2H2,(H,13,14)/t3-/m1/s1
InChIKeyOCUYRUDFPDKPRQ-GSVOUGTGSA-N
XLogP0.60
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 154479107) is (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is [N-]=[N+]=NC1=C(C(=O)O)N2C(=O)C[C@H]2C1.
What is the InChIKey of (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is OCUYRUDFPDKPRQ-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H6N4O3/c8-10-9-4-1-3-2-5(12)11(3)6(4)7(13)14/h3H,1-2H2,(H,13,14)/t3-/m1/s1.
What are the key properties of (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
(5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-azido-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 154479107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).