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

C7H7ClN2O3 — CID 56997714

IUPAC6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESNC1C(=O)N2C(C(=O)O)=C(Cl)CC12
InChIInChI=1S/C7H7ClN2O3/c8-2-1-3-4(9)6(11)10(3)5(2)7(12)13/h3-4H,1,9H2,(H,12,13)
InChIKeyVCQQYONMYRMRIF-UHFFFAOYSA-N
MW202.60 g/mol
LogP-0.54
Rot. Bonds1

About 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 56997714) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID56997714
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESNC1C(=O)N2C(C(=O)O)=C(Cl)CC12
InChIInChI=1S/C7H7ClN2O3/c8-2-1-3-4(9)6(11)10(3)5(2)7(12)13/h3-4H,1,9H2,(H,12,13)
InChIKeyVCQQYONMYRMRIF-UHFFFAOYSA-N
XLogP-0.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 56997714) is 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is NC1C(=O)N2C(C(=O)O)=C(Cl)CC12.
What is the InChIKey of 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is VCQQYONMYRMRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c8-2-1-3-4(9)6(11)10(3)5(2)7(12)13/h3-4H,1,9H2,(H,12,13).
What are the key properties of 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 202.60 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 56997714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).