N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide

C13H21NO5 — CID 129015426

IUPACN-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@]2(CO)CC[C@H]1O2
InChIInChI=1S/C13H21NO5/c1-7(16)14-9-8-4-5-13(6-15,17-8)11-10(9)18-12(2,3)19-11/h8-11,15H,4-6H2,1-3H3,(H,14,16)/t8-,9+,10-,11-,13-/m1/s1
InChIKeyFYVPIYUIDHSFAE-UYNYGYNWSA-N
MW271.31 g/mol
LogP-0.07
Rot. Bonds2

About N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide

N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide (PubChem CID 129015426) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide
PubChem CID129015426
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@]2(CO)CC[C@H]1O2
InChIInChI=1S/C13H21NO5/c1-7(16)14-9-8-4-5-13(6-15,17-8)11-10(9)18-12(2,3)19-11/h8-11,15H,4-6H2,1-3H3,(H,14,16)/t8-,9+,10-,11-,13-/m1/s1
InChIKeyFYVPIYUIDHSFAE-UYNYGYNWSA-N
XLogP-0.07
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide?
The IUPAC name of N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide (CID 129015426) is N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide is CC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@]2(CO)CC[C@H]1O2.
What is the InChIKey of N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide?
The InChIKey is FYVPIYUIDHSFAE-UYNYGYNWSA-N. The full InChI is InChI=1S/C13H21NO5/c1-7(16)14-9-8-4-5-13(6-15,17-8)11-10(9)18-12(2,3)19-11/h8-11,15H,4-6H2,1-3H3,(H,14,16)/t8-,9+,10-,11-,13-/m1/s1.
What are the key properties of N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide?
N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide has a molecular weight of 271.31 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6R,7S,8R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-7-yl]acetamide is sourced from PubChem (CID 129015426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).