ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate

C11H17NO2 — CID 129460925

IUPACethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate
SMILESCCOC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1C3
InChIInChI=1S/C11H17NO2/c1-2-14-11(13)12-6-8-3-7-4-9(8)10(12)5-7/h7-10H,2-6H2,1H3/t7-,8-,9+,10+/m0/s1
InChIKeyZGQSOOZWONBRER-AXTSPUMRSA-N
MW195.26 g/mol
LogP1.87
Rot. Bonds1

About ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate

ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate (PubChem CID 129460925) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate.

Molecular Properties

Compound Nameethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate
PubChem CID129460925
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate
SMILESCCOC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1C3
InChIInChI=1S/C11H17NO2/c1-2-14-11(13)12-6-8-3-7-4-9(8)10(12)5-7/h7-10H,2-6H2,1H3/t7-,8-,9+,10+/m0/s1
InChIKeyZGQSOOZWONBRER-AXTSPUMRSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate?
The IUPAC name of ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate (CID 129460925) is ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate.
What is the SMILES notation for ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate?
The canonical SMILES for ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate is CCOC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1C3.
What is the InChIKey of ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate?
The InChIKey is ZGQSOOZWONBRER-AXTSPUMRSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-14-11(13)12-6-8-3-7-4-9(8)10(12)5-7/h7-10H,2-6H2,1H3/t7-,8-,9+,10+/m0/s1.
What are the key properties of ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate?
ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,3R,6R,7R)-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate is sourced from PubChem (CID 129460925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).