3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C7H8N2O3 — CID 14329076

IUPAC3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESNC1=C(C(=O)O)N2C(=O)CC2C1
InChIInChI=1S/C7H8N2O3/c8-4-1-3-2-5(10)9(3)6(4)7(11)12/h3H,1-2,8H2,(H,11,12)
InChIKeyCTUZVMSQCMPERN-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.75
Rot. Bonds1

About 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 14329076) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID14329076
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESNC1=C(C(=O)O)N2C(=O)CC2C1
InChIInChI=1S/C7H8N2O3/c8-4-1-3-2-5(10)9(3)6(4)7(11)12/h3H,1-2,8H2,(H,11,12)
InChIKeyCTUZVMSQCMPERN-UHFFFAOYSA-N
XLogP-0.75
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 14329076) is 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is NC1=C(C(=O)O)N2C(=O)CC2C1.
What is the InChIKey of 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is CTUZVMSQCMPERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-4-1-3-2-5(10)9(3)6(4)7(11)12/h3H,1-2,8H2,(H,11,12).
What are the key properties of 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 14329076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).