[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate

C23H35N3O8 — CID 166693814

IUPAC[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate
SMILESCOC[C@@]1(COC(=O)CNC(=O)OC[C@]2(COC)C(=O)C3CCN2CC3)C(=O)C2CCN1CC2
InChIInChI=1S/C23H35N3O8/c1-31-12-22(19(28)16-3-7-25(22)8-4-16)14-33-18(27)11-24-21(30)34-15-23(13-32-2)20(29)17-5-9-26(23)10-6-17/h16-17H,3-15H2,1-2H3,(H,24,30)/t22-,23-/m1/s1
InChIKeyMVQJJPIVCGKJPL-DHIUTWEWSA-N
MW481.55 g/mol
LogP-0.38
Rot. Bonds10

About [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate

[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate (PubChem CID 166693814) has the molecular formula C23H35N3O8 and a molecular weight of 481.55 g/mol. Its IUPAC name is [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate.

Molecular Properties

Compound Name[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate
PubChem CID166693814
Molecular FormulaC23H35N3O8
Molecular Weight481.55 g/mol
Exact Mass481.24
IUPAC Name[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate
SMILESCOC[C@@]1(COC(=O)CNC(=O)OC[C@]2(COC)C(=O)C3CCN2CC3)C(=O)C2CCN1CC2
InChIInChI=1S/C23H35N3O8/c1-31-12-22(19(28)16-3-7-25(22)8-4-16)14-33-18(27)11-24-21(30)34-15-23(13-32-2)20(29)17-5-9-26(23)10-6-17/h16-17H,3-15H2,1-2H3,(H,24,30)/t22-,23-/m1/s1
InChIKeyMVQJJPIVCGKJPL-DHIUTWEWSA-N
XLogP-0.38
TPSA123.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-(methylcarbamoyloxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl N-methylcarbamate
CID 70333821
[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 156824478
[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl (2S)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]-3-methylbutanoate
CID 156824484
2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one;[2-(dimethylcarbamoyloxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl N,N-dimethylcarbamate
CID 162260848
[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl N-[(1R,3S)-3-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]cyclohexyl]carbamate
CID 165145287
[(1R,3S)-3-carbamoyloxycyclohexyl] N,N-bis[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate
CID 165145291
Bis[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl] piperazine-1,4-dicarboxylate
CID 165145316
2-(Methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one
CID 165145394
(2S)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]-3-methylbutanoic acid
CID 166693580
2-[[2-(Methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]-3-methylbutanoic acid
CID 166693582
[2-(Methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]-3-methylbutanoate
CID 166693632
[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl (2S)-2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]-3-methylbutanoate
CID 166693916

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate?
The IUPAC name of [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate (CID 166693814) is [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate.
What is the SMILES notation for [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate?
The canonical SMILES for [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate is COC[C@@]1(COC(=O)CNC(=O)OC[C@]2(COC)C(=O)C3CCN2CC3)C(=O)C2CCN1CC2.
What is the InChIKey of [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate?
The InChIKey is MVQJJPIVCGKJPL-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H35N3O8/c1-31-12-22(19(28)16-3-7-25(22)8-4-16)14-33-18(27)11-24-21(30)34-15-23(13-32-2)20(29)17-5-9-26(23)10-6-17/h16-17H,3-15H2,1-2H3,(H,24,30)/t22-,23-/m1/s1.
What are the key properties of [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate?
[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate has a molecular weight of 481.55 g/mol, XLogP of -0.38, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methyl 2-[[(2R)-2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxycarbonylamino]acetate is sourced from PubChem (CID 166693814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).