ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate

C11H19NO3 — CID 82855760

IUPACethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate
SMILESCCOC(=O)CC1(O)CCN2CCCC21
InChIInChI=1S/C11H19NO3/c1-2-15-10(13)8-11(14)5-7-12-6-3-4-9(11)12/h9,14H,2-8H2,1H3
InChIKeyXGIKHANDIDWCBQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.54
Rot. Bonds3

About ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate

ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate (PubChem CID 82855760) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate
PubChem CID82855760
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate
SMILESCCOC(=O)CC1(O)CCN2CCCC21
InChIInChI=1S/C11H19NO3/c1-2-15-10(13)8-11(14)5-7-12-6-3-4-9(11)12/h9,14H,2-8H2,1H3
InChIKeyXGIKHANDIDWCBQ-UHFFFAOYSA-N
XLogP0.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate?
The IUPAC name of ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate (CID 82855760) is ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate?
The canonical SMILES for ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate is CCOC(=O)CC1(O)CCN2CCCC21.
What is the InChIKey of ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate?
The InChIKey is XGIKHANDIDWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-15-10(13)8-11(14)5-7-12-6-3-4-9(11)12/h9,14H,2-8H2,1H3.
What are the key properties of ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate?
ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate has a molecular weight of 213.28 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetate is sourced from PubChem (CID 82855760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).