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

C12H21NO6 — CID 167420748

IUPACN-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C2OCC(COC(C)C)(O2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H21NO6/c1-6(2)17-4-12-5-18-11(19-12)8(13-7(3)14)9(15)10(12)16/h6,8-11,15-16H,4-5H2,1-3H3,(H,13,14)/t8-,9-,10-,11?,12?/m1/s1
InChIKeyWSYBZYDZECVRCC-HVHKSXCFSA-N
MW275.30 g/mol
LogP-1.24
Rot. Bonds4

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

N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 167420748) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
PubChem CID167420748
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC NameN-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C2OCC(COC(C)C)(O2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H21NO6/c1-6(2)17-4-12-5-18-11(19-12)8(13-7(3)14)9(15)10(12)16/h6,8-11,15-16H,4-5H2,1-3H3,(H,13,14)/t8-,9-,10-,11?,12?/m1/s1
InChIKeyWSYBZYDZECVRCC-HVHKSXCFSA-N
XLogP-1.24
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 167420748) is N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is CC(=O)N[C@H]1C2OCC(COC(C)C)(O2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The InChIKey is WSYBZYDZECVRCC-HVHKSXCFSA-N. The full InChI is InChI=1S/C12H21NO6/c1-6(2)17-4-12-5-18-11(19-12)8(13-7(3)14)9(15)10(12)16/h6,8-11,15-16H,4-5H2,1-3H3,(H,13,14)/t8-,9-,10-,11?,12?/m1/s1.
What are the key properties of N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide has a molecular weight of 275.30 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 167420748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).