methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate

C16H24N2O3 — CID 103246667

IUPACmethyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CCN3CCCCC23)o1
InChIInChI=1S/C16H24N2O3/c1-11(14-6-7-15(21-14)16(19)20-2)17-12-8-10-18-9-4-3-5-13(12)18/h6-7,11-13,17H,3-5,8-10H2,1-2H3
InChIKeyVHVPJDKIWDCZNZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.34
Rot. Bonds4

About methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate

methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate (PubChem CID 103246667) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate
PubChem CID103246667
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC2CCN3CCCCC23)o1
InChIInChI=1S/C16H24N2O3/c1-11(14-6-7-15(21-14)16(19)20-2)17-12-8-10-18-9-4-3-5-13(12)18/h6-7,11-13,17H,3-5,8-10H2,1-2H3
InChIKeyVHVPJDKIWDCZNZ-UHFFFAOYSA-N
XLogP2.34
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate
CID 103258490
methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate
CID 103242653
methyl 5-[1-[(2-phenylcyclopropyl)amino]ethyl]furan-2-carboxylate
CID 103244659
methyl 5-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]furan-2-carboxylate
CID 103256680
methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate
CID 79084701
N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
CID 79083634
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)butanoate
CID 113292420
methyl 5-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]furan-2-carboxylate
CID 103249506
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694423
methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
CID 103251686
N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 54881794

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate (CID 103246667) is methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NC2CCN3CCCCC23)o1.
What is the InChIKey of methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate?
The InChIKey is VHVPJDKIWDCZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(14-6-7-15(21-14)16(19)20-2)17-12-8-10-18-9-4-3-5-13(12)18/h6-7,11-13,17H,3-5,8-10H2,1-2H3.
What are the key properties of methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate?
methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate is sourced from PubChem (CID 103246667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).