tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate

C14H23NO5 — CID 11185240

IUPACtert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2[C@H]2OC(C)(C)OC[C@H]21
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(16)15-6-9-11(18-9)10-8(15)7-17-14(4,5)19-10/h8-11H,6-7H2,1-5H3/t8-,9+,10+,11+/m1/s1
InChIKeyNGXXBVWFUFNSFP-RCWTZXSCSA-N
MW285.34 g/mol
LogP1.52
Rot. Bonds

About tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate

tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate (PubChem CID 11185240) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate
PubChem CID11185240
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nametert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2[C@H]2OC(C)(C)OC[C@H]21
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(16)15-6-9-11(18-9)10-8(15)7-17-14(4,5)19-10/h8-11H,6-7H2,1-5H3/t8-,9+,10+,11+/m1/s1
InChIKeyNGXXBVWFUFNSFP-RCWTZXSCSA-N
XLogP1.52
TPSA60.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate?
The IUPAC name of tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate (CID 11185240) is tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate.
What is the SMILES notation for tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate?
The canonical SMILES for tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2[C@H]2OC(C)(C)OC[C@H]21.
What is the InChIKey of tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate?
The InChIKey is NGXXBVWFUFNSFP-RCWTZXSCSA-N. The full InChI is InChI=1S/C14H23NO5/c1-13(2,3)20-12(16)15-6-9-11(18-9)10-8(15)7-17-14(4,5)19-10/h8-11H,6-7H2,1-5H3/t8-,9+,10+,11+/m1/s1.
What are the key properties of tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate?
tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,2S,4S,7R)-10,10-dimethyl-3,9,11-trioxa-6-azatricyclo[5.4.0.02,4]undecane-6-carboxylate is sourced from PubChem (CID 11185240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).