N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

C11H19NO6 — CID 146676894

IUPACN-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCCOC[C@@]12CO[C@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
InChIInChI=1S/C11H19NO6/c1-3-16-4-11-5-17-10(18-11)7(12-6(2)13)8(14)9(11)15/h7-10,14-15H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9-,10-,11+/m1/s1
InChIKeyNIZNXVQMJWWUHG-ILAIQSSSSA-N
MW261.27 g/mol
LogP-1.63
Rot. Bonds4

About N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 146676894) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
PubChem CID146676894
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC NameN-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCCOC[C@@]12CO[C@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O
InChIInChI=1S/C11H19NO6/c1-3-16-4-11-5-17-10(18-11)7(12-6(2)13)8(14)9(11)15/h7-10,14-15H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9-,10-,11+/m1/s1
InChIKeyNIZNXVQMJWWUHG-ILAIQSSSSA-N
XLogP-1.63
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The IUPAC name of N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 146676894) is N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.
What is the SMILES notation for N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The canonical SMILES for N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is CCOC[C@@]12CO[C@H](O1)[C@H](NC(C)=O)[C@@H](O)[C@H]2O.
What is the InChIKey of N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The InChIKey is NIZNXVQMJWWUHG-ILAIQSSSSA-N. The full InChI is InChI=1S/C11H19NO6/c1-3-16-4-11-5-17-10(18-11)7(12-6(2)13)8(14)9(11)15/h7-10,14-15H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9-,10-,11+/m1/s1.
What are the key properties of N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide has a molecular weight of 261.27 g/mol, XLogP of -1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R,4R,5R)-1-(ethoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 146676894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).