N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide

C8H13NO5 — CID 130023825

IUPACN-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide
SMILESCC(=O)NC1C(O)C(O)C(O)C2OC12
InChIInChI=1S/C8H13NO5/c1-2(10)9-3-4(11)5(12)6(13)8-7(3)14-8/h3-8,11-13H,1H3,(H,9,10)
InChIKeyKWXPYPFPPWXLLM-UHFFFAOYSA-N
MW203.19 g/mol
LogP-2.65
Rot. Bonds1

About N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide

N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide (PubChem CID 130023825) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide
PubChem CID130023825
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameN-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide
SMILESCC(=O)NC1C(O)C(O)C(O)C2OC12
InChIInChI=1S/C8H13NO5/c1-2(10)9-3-4(11)5(12)6(13)8-7(3)14-8/h3-8,11-13H,1H3,(H,9,10)
InChIKeyKWXPYPFPPWXLLM-UHFFFAOYSA-N
XLogP-2.65
TPSA102.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-2.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S,3R,5R)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]acetamide
CID 59828190
N-(3,4-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide
CID 58948074
N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 156616201
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[(1R,2S,4R,5S)-2,4-dimethoxy-6-oxabicyclo[3.1.0]hexan-3-yl]acetamide
CID 10821940
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 14308166
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
(2S,3S,4R,5S,6R)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylate
CID 154586187
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(2S,3R,4S,5R,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
CID 56927717

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide?
The IUPAC name of N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide (CID 130023825) is N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide.
What is the SMILES notation for N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide?
The canonical SMILES for N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide is CC(=O)NC1C(O)C(O)C(O)C2OC12.
What is the InChIKey of N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide?
The InChIKey is KWXPYPFPPWXLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-2(10)9-3-4(11)5(12)6(13)8-7(3)14-8/h3-8,11-13H,1H3,(H,9,10).
What are the key properties of N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide?
N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide has a molecular weight of 203.19 g/mol, XLogP of -2.65, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide is sourced from PubChem (CID 130023825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).