3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide

C13H23N3O2 — CID 64892521

IUPAC3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide
SMILESNC1(C(=O)NC2CCN3CCCCC23)CCOC1
InChIInChI=1S/C13H23N3O2/c14-13(5-8-18-9-13)12(17)15-10-4-7-16-6-2-1-3-11(10)16/h10-11H,1-9,14H2,(H,15,17)
InChIKeyYRKPJJXDZBIPKG-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.15
Rot. Bonds2

About 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide

3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide (PubChem CID 64892521) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide
PubChem CID64892521
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide
SMILESNC1(C(=O)NC2CCN3CCCCC23)CCOC1
InChIInChI=1S/C13H23N3O2/c14-13(5-8-18-9-13)12(17)15-10-4-7-16-6-2-1-3-11(10)16/h10-11H,1-9,14H2,(H,15,17)
InChIKeyYRKPJJXDZBIPKG-UHFFFAOYSA-N
XLogP-0.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide (CID 64892521) is 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide is NC1(C(=O)NC2CCN3CCCCC23)CCOC1.
What is the InChIKey of 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide?
The InChIKey is YRKPJJXDZBIPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-13(5-8-18-9-13)12(17)15-10-4-7-16-6-2-1-3-11(10)16/h10-11H,1-9,14H2,(H,15,17).
What are the key properties of 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide?
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)oxolane-3-carboxamide is sourced from PubChem (CID 64892521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).