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

C8H13NO5 — CID 14308166

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

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

N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 14308166) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
PubChem CID14308166
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameN-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H13NO5/c1-3(10)9-5-7(12)6(11)4-2-13-8(5)14-4/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyPJFUEEUSPVNDFW-FMDGEEDCSA-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,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide with MolForge

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Related Compounds

N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide
CID 57197157
N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide
CID 131123221
N-[(1R,2S,3R,4S,5R)-2-ethoxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 102244861
(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide
CID 50930450
(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-[(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-[(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
N-[(1S,3R,5R,6R,7R,9S,11R,12S,14R,15R,16R,17S,18R,21R,23S,24S,25R,27R,29R,30R,31R,32R,34R,35R,36R)-31,36-diacetamido-6,16,17,24,30,32,34,35-octahydroxy-5,11-bis(hydroxymethyl)-23,29-dimethyl-2,4,8,10,13,20,22,26,28,33-decaoxahexacyclo[25.2.2.29,12.13,7.114,18.121,25]hexatriacontan-15-yl]acetamide
CID 102423558
N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide
CID 122207300
N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 135067404
N-[(1R,3S,5R,6S,7S,8S,10R,12R,13S,14S,15S,17S,18S,19S,20S,21R,24S,26R,27S,28R)-6,7,13,14,18,19,20,27-octahydroxy-5,12-bis(hydroxymethyl)-26-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,9,11,16,23,25,29-octaoxapentacyclo[22.3.1.117,21.03,8.010,15]nonacosan-28-yl]acetamide
CID 156615688
N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide
CID 130023825

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The IUPAC name of N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 14308166) is N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The canonical SMILES for N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is CC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The InChIKey is PJFUEEUSPVNDFW-FMDGEEDCSA-N. The full InChI is InChI=1S/C8H13NO5/c1-3(10)9-5-7(12)6(11)4-2-13-8(5)14-4/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5-,6-,7-,8-/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-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,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 14308166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).