7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid

C7H7NO6 — CID 54545167

IUPAC7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
SMILESO=C(O)C1OC2CC(=O)N2C1C(=O)O
InChIInChI=1S/C7H7NO6/c9-2-1-3-8(2)4(6(10)11)5(14-3)7(12)13/h3-5H,1H2,(H,10,11)(H,12,13)
InChIKeyZGAFRBYAHSPAPK-UHFFFAOYSA-N
MW201.13 g/mol
LogP-1.52
Rot. Bonds2

About 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid

7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid (PubChem CID 54545167) has the molecular formula C7H7NO6 and a molecular weight of 201.13 g/mol. Its IUPAC name is 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
PubChem CID54545167
Molecular FormulaC7H7NO6
Molecular Weight201.13 g/mol
Exact Mass201.03
IUPAC Name7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
SMILESO=C(O)C1OC2CC(=O)N2C1C(=O)O
InChIInChI=1S/C7H7NO6/c9-2-1-3-8(2)4(6(10)11)5(14-3)7(12)13/h3-5H,1H2,(H,10,11)(H,12,13)
InChIKeyZGAFRBYAHSPAPK-UHFFFAOYSA-N
XLogP-1.52
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
The IUPAC name of 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid (CID 54545167) is 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
The canonical SMILES for 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid is O=C(O)C1OC2CC(=O)N2C1C(=O)O.
What is the InChIKey of 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
The InChIKey is ZGAFRBYAHSPAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO6/c9-2-1-3-8(2)4(6(10)11)5(14-3)7(12)13/h3-5H,1H2,(H,10,11)(H,12,13).
What are the key properties of 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid has a molecular weight of 201.13 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 54545167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).