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

C8H13NO5 — CID 57197157

IUPACN-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O)[C@H]2CO[C@H](O2)[C@@H]1O
InChIInChI=1S/C8H13NO5/c1-3(10)9-5-6(11)4-2-13-8(14-4)7(5)12/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5+,6+,7-,8-/m1/s1
InChIKeyTWDDETOCLAWUAT-DWOUCZDBSA-N
MW203.19 g/mol
LogP-2.03
Rot. Bonds1

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

N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 57197157) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID57197157
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameN-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O)[C@H]2CO[C@H](O2)[C@@H]1O
InChIInChI=1S/C8H13NO5/c1-3(10)9-5-6(11)4-2-13-8(14-4)7(5)12/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5+,6+,7-,8-/m1/s1
InChIKeyTWDDETOCLAWUAT-DWOUCZDBSA-N
XLogP-2.03
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 14308166
N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide
CID 131123221
(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide
CID 50930450
N-[(1R,2S,3S,4R,5S)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]hexadecanamide
CID 10949376
N-[(1R,2S,3R,4S,5R)-2-ethoxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 102244861
(2S)-2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanoic acid
CID 146597148
N-[(2S,3R,5R)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]acetamide
CID 59828190
(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 131176478
N-[(1S,3S,4R,5S,7S,9R,10S,11R,13S,15R,16S,17S,18R,20R,23R,24S,25R,26R,28R,29S)-28,29-diacetamido-4,10,16,17,24,25-hexahydroxy-11,18-bis(hydroxymethyl)-5-methyl-2,6,8,12,14,19,21,27-octaoxapentacyclo[21.3.1.13,7.19,13.015,20]nonacosan-26-yl]acetamide
CID 156615758
N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 135067404
N-[(1S,2R,3S,4R,5R)-3-hydroxy-2-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 10428580
(1R,2R,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 13145602

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide (CID 57197157) is N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide is CC(=O)N[C@H]1[C@@H](O)[C@H]2CO[C@H](O2)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is TWDDETOCLAWUAT-DWOUCZDBSA-N. The full InChI is InChI=1S/C8H13NO5/c1-3(10)9-5-6(11)4-2-13-8(14-4)7(5)12/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5+,6+,7-,8-/m1/s1.
What are the key properties of N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide?
N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 203.19 g/mol, XLogP of -2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 57197157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).