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

C15H20N2O4 — CID 44634035

IUPACN-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide
SMILESO=C(N[C@H]1CN2CC[C@H](O)C2[C@@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c18-11-6-7-17-8-10(13(19)14(20)12(11)17)16-15(21)9-4-2-1-3-5-9/h1-5,10-14,18-20H,6-8H2,(H,16,21)/t10-,11-,12?,13+,14+/m0/s1
InChIKeyFAPRZCHKVUJAAK-JZWBPQTPSA-N
MW292.33 g/mol
LogP-1.04
Rot. Bonds2

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

N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide (PubChem CID 44634035) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide.

Molecular Properties

Compound NameN-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide
PubChem CID44634035
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide
SMILESO=C(N[C@H]1CN2CC[C@H](O)C2[C@@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c18-11-6-7-17-8-10(13(19)14(20)12(11)17)16-15(21)9-4-2-1-3-5-9/h1-5,10-14,18-20H,6-8H2,(H,16,21)/t10-,11-,12?,13+,14+/m0/s1
InChIKeyFAPRZCHKVUJAAK-JZWBPQTPSA-N
XLogP-1.04
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide
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5-[(2S,3S,4S)-4-benzamido-3-hydroxythiolan-2-yl]pentanoic acid
CID 26434661
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CID 70920066
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide?
The IUPAC name of N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide (CID 44634035) is N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide.
What is the SMILES notation for N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide?
The canonical SMILES for N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide is O=C(N[C@H]1CN2CC[C@H](O)C2[C@@H](O)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide?
The InChIKey is FAPRZCHKVUJAAK-JZWBPQTPSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-11-6-7-17-8-10(13(19)14(20)12(11)17)16-15(21)9-4-2-1-3-5-9/h1-5,10-14,18-20H,6-8H2,(H,16,21)/t10-,11-,12?,13+,14+/m0/s1.
What are the key properties of N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide?
N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide has a molecular weight of 292.33 g/mol, XLogP of -1.04, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide is sourced from PubChem (CID 44634035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).