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

C12H22N2O3 — CID 164878480

IUPAC[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OC[C@H]1CC[C@@]2(COC)CCCN12
InChIInChI=1S/C12H22N2O3/c1-13-11(15)17-8-10-4-6-12(9-16-2)5-3-7-14(10)12/h10H,3-9H2,1-2H3,(H,13,15)/t10-,12-/m1/s1
InChIKeyXWXDQTDNMPKQRT-ZYHUDNBSSA-N
MW242.32 g/mol
LogP0.99
Rot. Bonds4

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

[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate (PubChem CID 164878480) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate
PubChem CID164878480
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OC[C@H]1CC[C@@]2(COC)CCCN12
InChIInChI=1S/C12H22N2O3/c1-13-11(15)17-8-10-4-6-12(9-16-2)5-3-7-14(10)12/h10H,3-9H2,1-2H3,(H,13,15)/t10-,12-/m1/s1
InChIKeyXWXDQTDNMPKQRT-ZYHUDNBSSA-N
XLogP0.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
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-methylcarbamate?
The IUPAC name of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate (CID 164878480) is [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate.
What is the SMILES notation for [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate?
The canonical SMILES for [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate is CNC(=O)OC[C@H]1CC[C@@]2(COC)CCCN12.
What is the InChIKey of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate?
The InChIKey is XWXDQTDNMPKQRT-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-11(15)17-8-10-4-6-12(9-16-2)5-3-7-14(10)12/h10H,3-9H2,1-2H3,(H,13,15)/t10-,12-/m1/s1.
What are the key properties of [(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate?
[(3R,8R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate has a molecular weight of 242.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 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-methylcarbamate is sourced from PubChem (CID 164878480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).