benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate

C14H15NO3 — CID 135058704

IUPACbenzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESO=C1CC2C1CCN2C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO3/c16-13-8-12-11(13)6-7-15(12)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyVQKPIOZDTSKWAD-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds2

About benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate

benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate (PubChem CID 135058704) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
PubChem CID135058704
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namebenzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESO=C1CC2C1CCN2C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO3/c16-13-8-12-11(13)6-7-15(12)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyVQKPIOZDTSKWAD-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate?
The IUPAC name of benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate (CID 135058704) is benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate.
What is the SMILES notation for benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate?
The canonical SMILES for benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate is O=C1CC2C1CCN2C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate?
The InChIKey is VQKPIOZDTSKWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13-8-12-11(13)6-7-15(12)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate?
benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate is sourced from PubChem (CID 135058704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).