N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide

C10H17NO6 — CID 174036564

IUPACN-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide
SMILESCCC(=O)NC12O[C@H](O)C1C(O)[C@H](O)C2CO
InChIInChI=1S/C10H17NO6/c1-2-5(13)11-10-4(3-12)7(14)8(15)6(10)9(16)17-10/h4,6-9,12,14-16H,2-3H2,1H3,(H,11,13)/t4?,6?,7-,8?,9+,10?/m1/s1
InChIKeyOZNWXAUOTZGBOZ-GQDBSFJDSA-N
MW247.25 g/mol
LogP-2.48
Rot. Bonds3

About N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide

N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide (PubChem CID 174036564) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide.

Molecular Properties

Compound NameN-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide
PubChem CID174036564
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC NameN-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide
SMILESCCC(=O)NC12O[C@H](O)C1C(O)[C@H](O)C2CO
InChIInChI=1S/C10H17NO6/c1-2-5(13)11-10-4(3-12)7(14)8(15)6(10)9(16)17-10/h4,6-9,12,14-16H,2-3H2,1H3,(H,11,13)/t4?,6?,7-,8?,9+,10?/m1/s1
InChIKeyOZNWXAUOTZGBOZ-GQDBSFJDSA-N
XLogP-2.48
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-2.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide with MolForge

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Related Compounds

N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]propanamide
CID 146303927
(3R,7R)-4,7-bis(hydroxymethyl)-6-oxabicyclo[3.2.0]heptane-2,3,5-triol
CID 148911726
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide;hydrochloride
CID 132775552
N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]propanamide
CID 167084426
N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]propanamide
CID 126705030
2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide
CID 123142843
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)(214C)oxan-3-yl]propanamide
CID 10105565
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
methyl 4-(propanoylamino)bicyclo[2.1.1]hexane-1-carboxylate
CID 163379804
[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848

Frequently Asked Questions

What is the IUPAC name of N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide?
The IUPAC name of N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide (CID 174036564) is N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide.
What is the SMILES notation for N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide?
The canonical SMILES for N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide is CCC(=O)NC12O[C@H](O)C1C(O)[C@H](O)C2CO.
What is the InChIKey of N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide?
The InChIKey is OZNWXAUOTZGBOZ-GQDBSFJDSA-N. The full InChI is InChI=1S/C10H17NO6/c1-2-5(13)11-10-4(3-12)7(14)8(15)6(10)9(16)17-10/h4,6-9,12,14-16H,2-3H2,1H3,(H,11,13)/t4?,6?,7-,8?,9+,10?/m1/s1.
What are the key properties of N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide?
N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide has a molecular weight of 247.25 g/mol, XLogP of -2.48, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,7S)-2,3,7-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-5-yl]propanamide is sourced from PubChem (CID 174036564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).