N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide

C8H13NO5 — CID 91847162

IUPACN-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide
SMILESCC(=O)NC1C(O)OC(C)C(=O)C1O
InChIInChI=1S/C8H13NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5,7-8,12-13H,1-2H3,(H,9,10)
InChIKeyCBRMPSOALLZPKI-UHFFFAOYSA-N
MW203.19 g/mol
LogP-1.84
Rot. Bonds1

About N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide

N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide (PubChem CID 91847162) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide
PubChem CID91847162
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameN-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide
SMILESCC(=O)NC1C(O)OC(C)C(=O)C1O
InChIInChI=1S/C8H13NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5,7-8,12-13H,1-2H3,(H,9,10)
InChIKeyCBRMPSOALLZPKI-UHFFFAOYSA-N
XLogP-1.84
TPSA95.86 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 ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3R,4R,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-oxooxan-3-yl]acetamide
CID 91850724
N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 156616201
N-[(2S,3R,4S,5R,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
CID 56927717
N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146683
N-[(2R)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146689
N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 91851645
N-[(2S,3R,5R)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]acetamide
CID 59828190
N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
CID 154702648
N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide
CID 7761458
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
CID 59985924
CID 59985924
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide?
The IUPAC name of N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide (CID 91847162) is N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide?
The canonical SMILES for N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide is CC(=O)NC1C(O)OC(C)C(=O)C1O.
What is the InChIKey of N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide?
The InChIKey is CBRMPSOALLZPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5,7-8,12-13H,1-2H3,(H,9,10).
What are the key properties of N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide?
N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide has a molecular weight of 203.19 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide is sourced from PubChem (CID 91847162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).