N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide

C9H18N2O5 — CID 54363629

IUPACN-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1OC(CO)C(O)C(O)C1N
InChIInChI=1S/C9H18N2O5/c1-4(13)11(2)9-6(10)8(15)7(14)5(3-12)16-9/h5-9,12,14-15H,3,10H2,1-2H3
InChIKeyUOFVFAONYPBISS-UHFFFAOYSA-N
MW234.25 g/mol
LogP-2.77
Rot. Bonds2

About N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide

N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide (PubChem CID 54363629) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide
PubChem CID54363629
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC NameN-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1OC(CO)C(O)C(O)C1N
InChIInChI=1S/C9H18N2O5/c1-4(13)11(2)9-6(10)8(15)7(14)5(3-12)16-9/h5-9,12,14-15H,3,10H2,1-2H3
InChIKeyUOFVFAONYPBISS-UHFFFAOYSA-N
XLogP-2.77
TPSA116.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-2.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[acetyl-[(3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3-hydroxypropanoic acid
CID 90830548
N-acetyl-6-amino-N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 90330827
N-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-N-methylacetamide
CID 118527120
(2R)-2-[acetamido-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3-hydroxy-2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanoic acid
CID 141294674
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid
CID 66583672
2-[acetyl-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 155125824
(2S)-2-[acetyl-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3-[(2S,3R)-2-[acetyl-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3-hydroxybutanoyl]oxypropanoic acid
CID 67247519
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 122537280
N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-hexadecylhexadecanamide
CID 151936284
N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyltetradecanamide
CID 18633872
N-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyloctadecanamide
CID 18633866
N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-octadecyltetradecanamide
CID 18633880

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide?
The IUPAC name of N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide (CID 54363629) is N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide is CC(=O)N(C)C1OC(CO)C(O)C(O)C1N.
What is the InChIKey of N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide?
The InChIKey is UOFVFAONYPBISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-4(13)11(2)9-6(10)8(15)7(14)5(3-12)16-9/h5-9,12,14-15H,3,10H2,1-2H3.
What are the key properties of N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide?
N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide has a molecular weight of 234.25 g/mol, XLogP of -2.77, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-methylacetamide is sourced from PubChem (CID 54363629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).