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

C14H20N2O3 — CID 104608366

IUPAC5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNC2CCN3CCCCC23)c1
InChIInChI=1S/C14H20N2O3/c17-14(18)10-7-11(19-9-10)8-15-12-4-6-16-5-2-1-3-13(12)16/h7,9,12-13,15H,1-6,8H2,(H,17,18)
InChIKeyAYAIHSZEKGKSTE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds4

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

5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 104608366) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid
PubChem CID104608366
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNC2CCN3CCCCC23)c1
InChIInChI=1S/C14H20N2O3/c17-14(18)10-7-11(19-9-10)8-15-12-4-6-16-5-2-1-3-13(12)16/h7,9,12-13,15H,1-6,8H2,(H,17,18)
InChIKeyAYAIHSZEKGKSTE-UHFFFAOYSA-N
XLogP1.69
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid (CID 104608366) is 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNC2CCN3CCCCC23)c1.
What is the InChIKey of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is AYAIHSZEKGKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-14(18)10-7-11(19-9-10)8-15-12-4-6-16-5-2-1-3-13(12)16/h7,9,12-13,15H,1-6,8H2,(H,17,18).
What are the key properties of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid?
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).