tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate

C13H22N2O2 — CID 144774292

IUPACtert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC(C3CC32)[C@@H]1CN
InChIInChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-10-5-9(11(15)6-14)7-4-8(7)10/h7-11H,4-6,14H2,1-3H3/t7?,8?,9?,10-,11+/m1/s1
InChIKeyAFQLBSTWASKMTP-SCIYAHADSA-N
MW238.33 g/mol
LogP1.59
Rot. Bonds1

About tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate

tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate (PubChem CID 144774292) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate
PubChem CID144774292
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nametert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC(C3CC32)[C@@H]1CN
InChIInChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-10-5-9(11(15)6-14)7-4-8(7)10/h7-11H,4-6,14H2,1-3H3/t7?,8?,9?,10-,11+/m1/s1
InChIKeyAFQLBSTWASKMTP-SCIYAHADSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate with MolForge

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Related Compounds

6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azatricyclo[3.2.1.02,4]octane-7-carboxylic acid
CID 90415509
tert-butyl 7-formyl-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate
CID 117045656
tert-butyl (1S,4R,6S)-4-(aminomethyl)-2-ethyl-5-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130206871
tert-butyl (3S)-3-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 86276472
tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 72974214
tert-butyl 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 76656761
tert-butyl 5-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 130003267
tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 130204248
tert-butyl 7-(aminomethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 117275876
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl (1S,3S)-3-carbamoyl-2-azabicyclo[2.2.0]hexane-2-carboxylate
CID 130252816
tert-butyl 2-methyl-5-azabicyclo[2.1.1]hexane-5-carboxylate
CID 166076980

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate?
The IUPAC name of tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate (CID 144774292) is tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate.
What is the SMILES notation for tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate?
The canonical SMILES for tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate is CC(C)(C)OC(=O)N1[C@@H]2CC(C3CC32)[C@@H]1CN.
What is the InChIKey of tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate?
The InChIKey is AFQLBSTWASKMTP-SCIYAHADSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-10-5-9(11(15)6-14)7-4-8(7)10/h7-11H,4-6,14H2,1-3H3/t7?,8?,9?,10-,11+/m1/s1.
What are the key properties of tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate?
tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R,7R)-7-(aminomethyl)-6-azatricyclo[3.2.1.02,4]octane-6-carboxylate is sourced from PubChem (CID 144774292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).