benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate

C14H15NO3 — CID 118997388

IUPACbenzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
SMILESO=C1CC2CN(C(=O)OCc3ccccc3)CC12
InChIInChI=1S/C14H15NO3/c16-13-6-11-7-15(8-12(11)13)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyMOBSPFZKVPTLGN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.84
Rot. Bonds2

About benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate

benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate (PubChem CID 118997388) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate.

Molecular Properties

Compound Namebenzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
PubChem CID118997388
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namebenzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
SMILESO=C1CC2CN(C(=O)OCc3ccccc3)CC12
InChIInChI=1S/C14H15NO3/c16-13-6-11-7-15(8-12(11)13)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyMOBSPFZKVPTLGN-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (4aS,7aS)-7-oxo-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyridine-2-carboxylate
CID 86591297
benzyl (1R,5R)-7-oxo-6-oxa-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 102264136
benzyl (4aS,7aR)-5-oxo-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-2-carboxylate
CID 58739371
benzyl (1S,5R)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
CID 27281884
benzyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 44828813
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 8-(methylamino)-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 156705167
benzyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate;hydrochloride
CID 127263572
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate?
The IUPAC name of benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate (CID 118997388) is benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate.
What is the SMILES notation for benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate?
The canonical SMILES for benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate is O=C1CC2CN(C(=O)OCc3ccccc3)CC12.
What is the InChIKey of benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate?
The InChIKey is MOBSPFZKVPTLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13-6-11-7-15(8-12(11)13)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-3-azabicyclo[3.2.0]heptane-3-carboxylate?
benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate is sourced from PubChem (CID 118997388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).