N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide

C11H20N2O4 — CID 138727871

IUPACN-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide
SMILESCCC(=O)N[C@H]1CN2CCC(O)C2[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20N2O4/c1-2-8(15)12-6-5-13-4-3-7(14)9(13)11(17)10(6)16/h6-7,9-11,14,16-17H,2-5H2,1H3,(H,12,15)/t6-,7?,9?,10+,11+/m0/s1
InChIKeyAMFGENNVNAOLCL-AQKWVRGGSA-N
MW244.29 g/mol
LogP-1.95
Rot. Bonds2

About N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide

N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide (PubChem CID 138727871) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide.

Molecular Properties

Compound NameN-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide
PubChem CID138727871
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide
SMILESCCC(=O)N[C@H]1CN2CCC(O)C2[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20N2O4/c1-2-8(15)12-6-5-13-4-3-7(14)9(13)11(17)10(6)16/h6-7,9-11,14,16-17H,2-5H2,1H3,(H,12,15)/t6-,7?,9?,10+,11+/m0/s1
InChIKeyAMFGENNVNAOLCL-AQKWVRGGSA-N
XLogP-1.95
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide?
The IUPAC name of N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide (CID 138727871) is N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide.
What is the SMILES notation for N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide?
The canonical SMILES for N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide is CCC(=O)N[C@H]1CN2CCC(O)C2[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide?
The InChIKey is AMFGENNVNAOLCL-AQKWVRGGSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-8(15)12-6-5-13-4-3-7(14)9(13)11(17)10(6)16/h6-7,9-11,14,16-17H,2-5H2,1H3,(H,12,15)/t6-,7?,9?,10+,11+/m0/s1.
What are the key properties of N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide?
N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide has a molecular weight of 244.29 g/mol, XLogP of -1.95, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide is sourced from PubChem (CID 138727871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).