methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate

C13H23NO2 — CID 10775579

IUPACmethyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
SMILESCCC[C@@H]1CC[C@@H](C(=O)OC)N2CCC[C@@H]12
InChIInChI=1S/C13H23NO2/c1-3-5-10-7-8-12(13(15)16-2)14-9-4-6-11(10)14/h10-12H,3-9H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyOTGZJLXSEPAZMC-WOPDTQHZSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds3

About methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate

methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate (PubChem CID 10775579) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate.

Molecular Properties

Compound Namemethyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
PubChem CID10775579
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
SMILESCCC[C@@H]1CC[C@@H](C(=O)OC)N2CCC[C@@H]12
InChIInChI=1S/C13H23NO2/c1-3-5-10-7-8-12(13(15)16-2)14-9-4-6-11(10)14/h10-12H,3-9H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyOTGZJLXSEPAZMC-WOPDTQHZSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate with MolForge

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Related Compounds

methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
CID 63382875
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
methyl 1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
CID 62028796
methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate
CID 112581433
methyl (5S,8E,8aS)-8-(methoxymethylidene)-2,3,5,6,7,8a-hexahydro-1H-indolizine-5-carboxylate
CID 10632958
tert-butyl (2R)-1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate
CID 115537695
methyl 1-(2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 62027090
methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632727
ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate
CID 115539291
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554

Frequently Asked Questions

What is the IUPAC name of methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate?
The IUPAC name of methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate (CID 10775579) is methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate.
What is the SMILES notation for methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate?
The canonical SMILES for methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate is CCC[C@@H]1CC[C@@H](C(=O)OC)N2CCC[C@@H]12.
What is the InChIKey of methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate?
The InChIKey is OTGZJLXSEPAZMC-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-5-10-7-8-12(13(15)16-2)14-9-4-6-11(10)14/h10-12H,3-9H2,1-2H3/t10-,11+,12+/m1/s1.
What are the key properties of methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate?
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate is sourced from PubChem (CID 10775579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).