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

C13H24N2O3 — CID 164878719

IUPAC[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
SMILESCOC[C@]12CCCN1[C@@H](COC(=O)N(C)C)CC2
InChIInChI=1S/C13H24N2O3/c1-14(2)12(16)18-9-11-5-7-13(10-17-3)6-4-8-15(11)13/h11H,4-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyWCHYSJXUTVBQGD-DGCLKSJQSA-N
MW256.35 g/mol
LogP1.33
Rot. Bonds4

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

[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate (PubChem CID 164878719) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
PubChem CID164878719
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
SMILESCOC[C@]12CCCN1[C@@H](COC(=O)N(C)C)CC2
InChIInChI=1S/C13H24N2O3/c1-14(2)12(16)18-9-11-5-7-13(10-17-3)6-4-8-15(11)13/h11H,4-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyWCHYSJXUTVBQGD-DGCLKSJQSA-N
XLogP1.33
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.33
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 N,N-dimethylcarbamate?
The IUPAC name of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate (CID 164878719) is [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate is COC[C@]12CCCN1[C@@H](COC(=O)N(C)C)CC2.
What is the InChIKey of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
The InChIKey is WCHYSJXUTVBQGD-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-14(2)12(16)18-9-11-5-7-13(10-17-3)6-4-8-15(11)13/h11H,4-10H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate has a molecular weight of 256.35 g/mol, XLogP of 1.33, 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 N,N-dimethylcarbamate is sourced from PubChem (CID 164878719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).