methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate

C11H19NO3 — CID 82855878

IUPACmethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate
SMILESCOC(=O)C(C)C1(O)CCN2CCCC21
InChIInChI=1S/C11H19NO3/c1-8(10(13)15-2)11(14)5-7-12-6-3-4-9(11)12/h8-9,14H,3-7H2,1-2H3
InChIKeyYRGDBKGGURXPPX-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.39
Rot. Bonds2

About methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate

methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate (PubChem CID 82855878) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate
PubChem CID82855878
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate
SMILESCOC(=O)C(C)C1(O)CCN2CCCC21
InChIInChI=1S/C11H19NO3/c1-8(10(13)15-2)11(14)5-7-12-6-3-4-9(11)12/h8-9,14H,3-7H2,1-2H3
InChIKeyYRGDBKGGURXPPX-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate?
The IUPAC name of methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate (CID 82855878) is methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate?
The canonical SMILES for methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate is COC(=O)C(C)C1(O)CCN2CCCC21.
What is the InChIKey of methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate?
The InChIKey is YRGDBKGGURXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(10(13)15-2)11(14)5-7-12-6-3-4-9(11)12/h8-9,14H,3-7H2,1-2H3.
What are the key properties of methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate?
methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate has a molecular weight of 213.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)propanoate is sourced from PubChem (CID 82855878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).