ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate

C11H17NO4 — CID 592579

IUPACethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate
SMILESCCOC(=O)N1C2CC3OC2CCC1C3O
InChIInChI=1S/C11H17NO4/c1-2-15-11(14)12-6-3-4-8-7(12)5-9(16-8)10(6)13/h6-10,13H,2-5H2,1H3
InChIKeyMSKWTBKFSBBWPE-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.51
Rot. Bonds1

About ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate

ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate (PubChem CID 592579) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate.

Molecular Properties

Compound Nameethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate
PubChem CID592579
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate
SMILESCCOC(=O)N1C2CC3OC2CCC1C3O
InChIInChI=1S/C11H17NO4/c1-2-15-11(14)12-6-3-4-8-7(12)5-9(16-8)10(6)13/h6-10,13H,2-5H2,1H3
InChIKeyMSKWTBKFSBBWPE-UHFFFAOYSA-N
XLogP0.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate?
The IUPAC name of ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate (CID 592579) is ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate.
What is the SMILES notation for ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate?
The canonical SMILES for ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate is CCOC(=O)N1C2CC3OC2CCC1C3O.
What is the InChIKey of ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate?
The InChIKey is MSKWTBKFSBBWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-15-11(14)12-6-3-4-8-7(12)5-9(16-8)10(6)13/h6-10,13H,2-5H2,1H3.
What are the key properties of ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate?
ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-hydroxy-2-oxa-7-azatricyclo[4.3.1.03,8]decane-7-carboxylate is sourced from PubChem (CID 592579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).