methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate

C14H15NO4 — CID 67524594

IUPACmethyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate
SMILESCOC(=O)[C@@]12C[C@]1(c1ccccc1)CCOC(=O)N2
InChIInChI=1S/C14H15NO4/c1-18-11(16)14-9-13(14,7-8-19-12(17)15-14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,17)/t13-,14-/m0/s1
InChIKeyWWQCPPZCXMDRBG-KBPBESRZSA-N
MW261.28 g/mol
LogP1.37
Rot. Bonds2

About methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate

methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate (PubChem CID 67524594) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate
PubChem CID67524594
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate
SMILESCOC(=O)[C@@]12C[C@]1(c1ccccc1)CCOC(=O)N2
InChIInChI=1S/C14H15NO4/c1-18-11(16)14-9-13(14,7-8-19-12(17)15-14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,17)/t13-,14-/m0/s1
InChIKeyWWQCPPZCXMDRBG-KBPBESRZSA-N
XLogP1.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate?
The IUPAC name of methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate (CID 67524594) is methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate.
What is the SMILES notation for methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate?
The canonical SMILES for methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate is COC(=O)[C@@]12C[C@]1(c1ccccc1)CCOC(=O)N2.
What is the InChIKey of methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate?
The InChIKey is WWQCPPZCXMDRBG-KBPBESRZSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-11(16)14-9-13(14,7-8-19-12(17)15-14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,17)/t13-,14-/m0/s1.
What are the key properties of methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate?
methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate is sourced from PubChem (CID 67524594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).