[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate

C15H26N2O3 — CID 164878478

IUPAC[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate
SMILESCOC[C@]12CCCN1[C@@H](COC(=O)N1CCCC1)CC2
InChIInChI=1S/C15H26N2O3/c1-19-12-15-6-4-10-17(15)13(5-7-15)11-20-14(18)16-8-2-3-9-16/h13H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyFKCXKZSEIIQGPM-UKRRQHHQSA-N
MW282.38 g/mol
LogP1.86
Rot. Bonds4

About [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate

[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate (PubChem CID 164878478) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate
PubChem CID164878478
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate
SMILESCOC[C@]12CCCN1[C@@H](COC(=O)N1CCCC1)CC2
InChIInChI=1S/C15H26N2O3/c1-19-12-15-6-4-10-17(15)13(5-7-15)11-20-14(18)16-8-2-3-9-16/h13H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyFKCXKZSEIIQGPM-UKRRQHHQSA-N
XLogP1.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate?
The IUPAC name of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate (CID 164878478) is [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate.
What is the SMILES notation for [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate?
The canonical SMILES for [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate is COC[C@]12CCCN1[C@@H](COC(=O)N1CCCC1)CC2.
What is the InChIKey of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate?
The InChIKey is FKCXKZSEIIQGPM-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-19-12-15-6-4-10-17(15)13(5-7-15)11-20-14(18)16-8-2-3-9-16/h13H,2-12H2,1H3/t13-,15-/m1/s1.
What are the key properties of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate?
[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 164878478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).