(2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one

C14H18N2O2 — CID 88570663

IUPAC(2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESC[C@@H]1CC[C@H]2CN1C(=O)N2OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-11-7-8-13-9-15(11)14(17)16(13)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyGFSJHWBPHVENBD-YPMHNXCESA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds3

About (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one

(2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 88570663) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID88570663
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESC[C@@H]1CC[C@H]2CN1C(=O)N2OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-11-7-8-13-9-15(11)14(17)16(13)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeyGFSJHWBPHVENBD-YPMHNXCESA-N
XLogP2.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one (CID 88570663) is (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one is C[C@@H]1CC[C@H]2CN1C(=O)N2OCc1ccccc1.
What is the InChIKey of (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is GFSJHWBPHVENBD-YPMHNXCESA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-7-8-13-9-15(11)14(17)16(13)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one?
(2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 246.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methyl-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 88570663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).