(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide

C8H13NO6 — CID 138531918

IUPAC(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide
SMILESCCNC(=O)[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H13NO6/c1-2-9-7(13)5(12)6-3(10)4(11)8(14)15-6/h3-6,10-12H,2H2,1H3,(H,9,13)/t3-,4+,5-,6+/m1/s1
InChIKeyBGGAFXGBPNBICJ-MOJAZDJTSA-N
MW219.19 g/mol
LogP-2.87
Rot. Bonds3

About (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide

(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide (PubChem CID 138531918) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide
PubChem CID138531918
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide
SMILESCCNC(=O)[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H13NO6/c1-2-9-7(13)5(12)6-3(10)4(11)8(14)15-6/h3-6,10-12H,2H2,1H3,(H,9,13)/t3-,4+,5-,6+/m1/s1
InChIKeyBGGAFXGBPNBICJ-MOJAZDJTSA-N
XLogP-2.87
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-2.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide with MolForge

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Related Compounds

N-(2-Hydroxyethyl)hexonamide
CID 226311
N-Gluconyl ethanolamine
CID 53778435
N-(3-Methoxypropyl)-D-gluconamide
CID 130850
N-acetyl-D-glucosaminate
CID 16126799
2-Acetamido-2-deoxy-D-gluconic acid
CID 5460401
(2S,3S,4S,5R)-3,4,5-trihydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-(hydroxymethyl)oxolane-2-carboxamide
CID 127036595
(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide
CID 127036951
(2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide
CID 127037128
(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-(3-hydroxypropyl)oxolane-2-carboxamide
CID 127037129
N-octyl-D-gluconamide
CID 87609
N-[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxooxolan-3-yl]acetamide
CID 230397
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 118710034

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide?
The IUPAC name of (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide (CID 138531918) is (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide.
What is the SMILES notation for (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide?
The canonical SMILES for (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide is CCNC(=O)[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide?
The InChIKey is BGGAFXGBPNBICJ-MOJAZDJTSA-N. The full InChI is InChI=1S/C8H13NO6/c1-2-9-7(13)5(12)6-3(10)4(11)8(14)15-6/h3-6,10-12H,2H2,1H3,(H,9,13)/t3-,4+,5-,6+/m1/s1.
What are the key properties of (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide?
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide has a molecular weight of 219.19 g/mol, XLogP of -2.87, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide is sourced from PubChem (CID 138531918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).