methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate

C18H26N2O9 — CID 10093204

IUPACmethyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
SMILESCOC(=O)[C@@H]1O[C@@H]2CN(C(=O)[C@@H]3O[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C[C@H]1O2
InChIInChI=1S/C18H26N2O9/c1-18(2,3)29-17(23)20-6-9-13(27-12(8-20)25-9)15(21)19-5-10-14(16(22)24-4)28-11(7-19)26-10/h9-14H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,14-/m1/s1
InChIKeyCHFFOAMPDDNDIC-FAYOZSNISA-N
MW414.41 g/mol
LogP-0.53
Rot. Bonds2

About methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate

methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate (PubChem CID 10093204) has the molecular formula C18H26N2O9 and a molecular weight of 414.41 g/mol. Its IUPAC name is methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
PubChem CID10093204
Molecular FormulaC18H26N2O9
Molecular Weight414.41 g/mol
Exact Mass414.16
IUPAC Namemethyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
SMILESCOC(=O)[C@@H]1O[C@@H]2CN(C(=O)[C@@H]3O[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C[C@H]1O2
InChIInChI=1S/C18H26N2O9/c1-18(2,3)29-17(23)20-6-9-13(27-12(8-20)25-9)15(21)19-5-10-14(16(22)24-4)28-11(7-19)26-10/h9-14H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,14-/m1/s1
InChIKeyCHFFOAMPDDNDIC-FAYOZSNISA-N
XLogP-0.53
TPSA113.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O-tert-butyl 7-O-methyl (1R,5R,7R)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxylate
CID 10468509
1-O-tert-butyl 3-O-methyl 4-methylpyrrolidine-1,3-dicarboxylate
CID 23590627
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
1-O-tert-butyl 3-O-methyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate
CID 58582417
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 23291151
tert-butyl (1S,5S,6S)-6-hydroxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 176894288
1-O-tert-butyl 3-O,5-O-dimethyl piperidine-1,3,5-tricarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid
CID 167587673
1-O-tert-butyl 3-O-methyl (3R,4S)-5,5-difluoro-4-hydroxypiperidine-1,3-dicarboxylate
CID 99770779
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
1-O-tert-butyl 3-O-methyl 4-cyclopropylpyrrolidine-1,3-dicarboxylate
CID 68646619

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate?
The IUPAC name of methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate (CID 10093204) is methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate.
What is the SMILES notation for methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate?
The canonical SMILES for methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate is COC(=O)[C@@H]1O[C@@H]2CN(C(=O)[C@@H]3O[C@@H]4CN(C(=O)OC(C)(C)C)C[C@H]3O4)C[C@H]1O2.
What is the InChIKey of methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate?
The InChIKey is CHFFOAMPDDNDIC-FAYOZSNISA-N. The full InChI is InChI=1S/C18H26N2O9/c1-18(2,3)29-17(23)20-6-9-13(27-12(8-20)25-9)15(21)19-5-10-14(16(22)24-4)28-11(7-19)26-10/h9-14H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,14-/m1/s1.
What are the key properties of methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate?
methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate has a molecular weight of 414.41 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R,7R)-3-[(1R,5R,7R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate is sourced from PubChem (CID 10093204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).